This paper was converted on www.awesomepapers.org from LaTeX by an anonymous user.
Want to know more? Visit the Converter page.

Electronic structure of ACo2As2 (A = Ca, Sr, Ba, Eu) studied using angle-resolved photoemission spectroscopy and theoretical calculations

R. S. Dhaka Corresponding author: [email protected] The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA Department of Physics, Indian Institute of Technology Delhi, Hauz Khas, New Delhi-110016, India    Y. Lee The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA    V. K. Anand Present address: Department of Physics, University of Petroleum and Energy Studies, Dehradun, Uttarakhand, 248007, India The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA    Abhishek Pandey Present address: Materials Physics Research Institute, School of Physics, University of the Witwatersrand, Johannesburg, Gauteng 2050, South Africa The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA    D. C. Johnston The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA    B. N. Harmon The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA    Adam Kaminski The Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
Abstract

We present a comprehensive study of the low-energy band structure and Fermi surface (FS) topology of ACo2As2 (A = Ca, Sr, Ba, Eu) using high-resolution angle-resolved photoemission spectroscopy. The experimental FS topology and band dispersion data are compared with theoretical full-potential linearized augmented-plane-wave (FP-LAPW) calculations, which yielded reasonably good agreement. We demonstrate that the FS maps of AACo2As2 are significantly different from those of the parent compounds of Fe-based high-temperature superconductors. Further, the FSs of CaCo2As2 do not show significant changes across its antiferromagnetic transition temperature. The band dispersions extracted in different momentum (kx,ky)(k_{\it x},k_{\it y}) directions show a small electron pocket at the center and a large electron pocket at the corner of the Brillouin zone (BZ). The absence of the hole FS in these compounds does not allow nesting between pockets at the Fermi energy (EF), which is in contrast to AFe2As2-type parent compounds of the iron-based superconductors. Interestingly, we find that the hole bands are moved 300–400 meV below EFE_{\rm F} depending on the AA element. Moreover, the existence of nearly flat bands in the vicinity of EFE_{\rm F} are consistent with the large density of states at EF. These results are important to understand the physical properties as well as the possibility of the emergence of superconductivity in related materials.

I Introduction

Understanding the origin of the unconventional pairing mechanism in high-temperature superconductors, cuprates Bednorz86 ; Schilling93 ; Chu93 and iron pnictides Kamihara08 ; Takahashi08 ; XHChen08 ; GFChen08 ; Rotter08 ; Yuan09 ; Cruz08 ; SefatPRL08 ; WangSc11 , is one of the most challenging issues in condensed-matter physics. In particular, the superconductivity (SC) in the iron pnictides has received enormous attention to find its intimate connection with the magnetic ordering Johnston10 ; CanfieldRev10 . For example, the parent compound BaFe2As2 shows a phase change from high temperature tetragonal to low temperature orthorhombic structure at 135\approx 135 K along with an associated antiferromagnetic (AFM) spin density wave (SDW) transition. It is well known that the common method to induce high-Tc superconductivity in these materials is to suppress the SDW ground state by different ways such as partial chemical substitution and/or application of external pressure Takahashi08 ; XHChen08 ; GFChen08 ; Rotter08 ; Yuan09 ; Cruz08 ; SefatPRL08 ; Johnston10 ; CanfieldRev10 . One of the most intriguing aspects is to study how the long-range magnetic order and superconductivity are related in these materials Cruz08 ; PrattPRL09 . In this context, investigation of the electronic structure and Fermi surface (FS) topology using angle-resolved photoemission spectroscopy (ARPES) is vital LiuPRB09 ; YangPRL09 ; ZhangPRL09 ; KondoPRB10 ; LiuPRL09 ; YiPRB09 ; DhakaPRL11 ; LiuNP10 . The FS of BaFe2As2 consists of a hole (at the Γ\Gamma point) and an electron (at the XX point) pockets, and their similar volumes suggest that the material is compensated since the number of electrons and holes are equal. The nesting between the hole and the electron FSs can give SDW ordering SinghPRL08 ; Mazin10 ; MazinPRL08 and play a pivotal role in driving the antiferromagnetic-paramagnetic phase transition Cruz08 ; Mazin10 ; DhakaPRL13 . The FSs of these materials show a remarkable reconstruction at low temperature due to the presence of an AFM SDW phase LiuPRB09 ; YangPRL09 ; ZhangPRL09 ; KondoPRB10 ; LiuPRL09 ; YiPRB09 , and the suppression of magnetic ordering is linked to the onset of the SC dome DhakaPRL11 ; LiuNP10 . Interestingly, when Fe is replaced by Co in BaFe2As2, a rigid-band-like change in the band structure occurs and Lifshitz transitions are observed both at the onset and offset of the SC dome LiuNP10 ; LiuPRB11 ; Thirupathaiah ; Brouet ; Sekiba ; Ideta . On the other hand, no significant changes in the FS and band structure were observed for isoelectronic Ru substituted BaFe2As2 across the SC dome DhakaPRL11 ; LiuPRB15 .

Therefore, one approach is to completely substitute Co/Ru at the Fe site and investigate how the band structure and FS topology are related to the magnetic ordering as well as the SC in these materials. In this direction, very interesting structural and magnetic properties of ACo2As2,(A = Ca, Sr, Ba, Eu) compounds have been reported VivekPRB14 ; BingPRB19 ; SangeethaPRB18 ; SapkotaPRL17 ; DingPRB17 ; JayasekaraPRB15 ; Ying12 ; Cheng12 ; Bishop10 ; Sefat09 ; Pandey13 . For example, powder x-ray diffraction and magnetization measurements on CaCo2As2 demonstrate the structure to be collapsed-tetragonal and A-type collinear AFM order is observed below T=N{}_{\rm N}= 52 K, respectively VivekPRB14 . However, the resistivity and specific heat measurements show no evidence of the magnetic transition in CaCo2As2 VivekPRB14 . On the other hand, BaCo2As2 exhibits paramagnetic behavior and no magnetic ordering is reported down to 1.8 K Sefat09 ; AnandPRB14 . Interestingly, these materials crystallize in the ThCr2Si2-type tetragonal structure and the c/ac/a ratio of SrCo2As2 is found to be 2.99, which is intermediate to those of normal-tetragonal BaCo2As2 (c/a=c/a= 3.20) exhibiting ferromagnetic correlations and collapsed-tetragonal-antiferromagnetic CaCo2As2 (c/a=c/a= 2.58) Pandey13 . Furthermore, the magnetization, NMR, and neutron diffraction measurements of SrCo2As2 show no evidence for long-range magnetic ordering above 0.05 K Pandey13 ; Jasper08 ; Jayasekara13 ; BingPRB19 . This is consistent with the isostructural BaCo2As2 Sefat09 , but is in contrast to the AFM behavior of CaCo2As2 VivekPRB14 ; Ying12 ; Cheng12 . More interestingly, SrCo2As2 shows a negative (positive) thermal expansion coefficient along the cc (aa)-axis in the temperature range from \approx7 K to 300 K Pandey13 . Also, the structural properties of EuCo2As2 indicate a phase transition from tetragonal at ambient pressure to collapsed-tetragonal at high pressure Bishop10 . The magnetization measurements at ambient pressure indicate that the effective paramagnetic moment at high temperatures arises mainly from the Eu spins with an appearance of AFM ordering 39\leq 39 K Ballinger12 .

Notably, there have been many reports on the structural and magnetic properties of these ACo2As2 compounds VivekPRB14 ; BingPRB19 ; SangeethaPRB18 ; SapkotaPRL17 ; DingPRB17 ; JayasekaraPRB15 ; Ying12 ; Cheng12 ; Bishop10 ; Sefat09 ; Pandey13 ; however, detailed ARPES studies are very few DhakaPRB13 ; XuPRX13 ; MansartPRB16 and not reported for EuCo2As2. Therefore, further investigations of the band structure and FSs of ACo2As2 and comparison with the AFe2As2 parent compounds are desired to shed light on the pairing mechanism of Fe-based superconductors.

In this paper, we report a comprehensive ARPES study of ACo2As2 (A = Ca, Sr, Ba, Eu) and present the FSs as well as low-energy band structures, which are found to be very different from BaFe2As2 at the Fermi level. The experimental FSs and band dispersion data are compared with full-potential linearized augmented-plane-wave (FP-LAPW) calculations, which are found to be in reasonably good agreement. The corresponding band dispersion data show a small electron pocket at the center and large electron pocket at the corner of the Brillouin zone (BZ). This reveals that no obvious FS nesting is present in these compounds, which is in contrast to the parent compounds of Fe-based high-Tc superconductors. Moreover, we observe that the hole bands are moved 300–400 meV below the EF compared to the hole bands crossing EF in the AFe2As2 compounds. Here in case of ACo2As2, the rigid-band-like shift in the band structure results in the appearance of a small electron pocket at the Γ\Gamma point DhakaPRB13 ; XuPRX13 ; MansartPRB16 . Moreover, we find that the bands in the vicinity of EF are reasonably flat, which are responsible for high intensity peak in the density of states (DOS) at EF and important to understand the physical properties of these AACo2As2 materials. In addition, there are no notable changes in the FS topology of CaCo2As2 measured at, below, and above the AFM transition temperature.

II Experimental details

High-quality single crystals of ACo2As2 (A = Ca, Sr, Eu) were grown with Sn-flux whereas BaCo2As2 out of self flux and the details of bulk physical property measurements and x-ray analysis can be found in Refs. Pandey13 ; VivekPRB14 ; AnandPRB14 ; SangeethaPRB18 . We used a Scienta R4000 electron analyzer to perform high-resolution ARPES measurements at beamline 7.0.1 of the Advanced Light Source (ALS), Berkeley, California. All samples were cleaved in situ in an ultrahigh vacuum chamber having \leq4×10114\times 10^{-11} mbar pressure, yielding flat mirror-like surfaces in the ab plane. The ARPES data were collected with 20\sim 20 meV and 0.3\sim 0.3^{\circ} energy and momentum resolutions, respectively. Several samples from different batches were measured to reproduce the results of the Fermi surfaces and band structure. We use a gold sample to determine the Fermi energy.

We calculate the Fermi surfaces and band dispersions of AACo2As2 with the FP-LAPW method using the local density approximation Perdew92 . We use RMT×kmax=R_{\rm MT}\times{\it k}_{\rm max}= 8 or 9 to find the self-consistent charge density, where the smallest muffin tin (MT) radius is multiplied by the maximum kk value in the plane wave expansion basis. Here, the MT radii of 2.1, 2.3, 2.5, 2.5, 2.1, and 2.1 a.u. were taken for Ca, Sr, Ba, Eu, Co, and As, respectively. Note that 828 kk-points were selected in the irreducible BZ to perform the calculations untill we reached the total energy convergence criterion of 0.01 mRy/ primitive cell. Also, we relaxed the As atom z-axis position to find a minimum total energy, which gave z=As{}_{\rm As}= 0.3622, 0.3515, 0.3441, and 0.3611 for A=A= Ca, Sr, Ba, and Eu, respectively. To compute the FSs, we divide the 2π/a(kx-2\pi/a\leq(k_{\it x}, ky)2π/ak_{\it y})\leq 2\pi/a ranges of kxk_{\it x}, kyk_{\it y} planes with different kzk_{\it z} values into 200×\times200 meshes.

Refer to caption
Figure 1: Fermi surface maps of ACo2As2 (A = Ca, Sr, Ba, Eu) plotted by integrating the photoelectron intensity within ±10\pm 10 meV about EF, for (a) CaCo2As2 (TS20T_{\rm S}\approx 20 K, hν=135h\nu=135 eV), (b) SrCo2As2 (TS90T_{\rm S}\approx 90 K, hν=140h\nu=140 eV), (c) BaCo2As2 (TS200T_{\rm S}\approx 200 K, hν=135h\nu=135 eV), and (d) EuCo2As2 (TS200T_{\rm S}\approx 200 K, hν=135h\nu=135 eV). The outline of the first Brillouin zone is shown by a black dashed square. The panels (e–h) are same as (a–d), but calculated. The panels (b, c, f, g) are reconstructed from our earlier publications DhakaPRB13 ; Pandey13 for comparison within the AACo2As2 family.

III Results and discussion

In order to understand how the low-energy band structure changes between different members of AACo2As2 family, in Figs. 1(a–d) we present the photoemission intensity maps of ACo2As2 (A = Ca, Sr, Ba, Eu) at EF measured at kz2π/c{}_{\rm z}\approx 2\pi/c. To plot the FS maps, we have integrated the intensity of the photoelectrons within ±10\pm 10 meV about EFE_{\rm F}. Interestingly, we find that the shape of the FSs of ACo2As2 is more complicated DhakaPRB13 ; XuPRX13 than those of the parent AAFe2As2 compounds of the 122-family DhakaPRL11 . In particular, the FS map of CaCo2As2 [Fig. 1(a)] clearly exhibits small elliptical pockets centered around the corner (XX point) of the BZ. Additionally, we also observe four small pockets around the center (Γ\Gamma point) of the BZ. In the case of SrCo2As2 [Fig. 1(b)], the FS topology is slightly different in the sense that the elliptical pockets at the XX point become straight and the four small pockets around the Γ\Gamma point are now less visible. The FS of BaCo2As2 in Fig. 1(c) is significantly different where the pockets at XX point break into small segments, and the four small pockets around the Γ\Gamma point are become smaller in size and change in shape. More interestingly, we observe a small circular pocket at the Γ\Gamma point in the FS map of EuCo2As2. At the corner (XX point) of the BZ, long straight segments of intensity pocket for the A=A= Sr, Ba, and Eu samples are clearly different in shape as compared to CaCo2As2. In the case of A=A= Eu, the intensity of the four small electron pockets (along the kxk_{x}, kyk_{y} directions) around the center of the BZ almost disappeared as compared to CaCo2As2, see Figs. 1(a, d).

Interestingly, we observe a significant change in the FS topology of AACo2As2 family by changing the element at AA site (for example in the present study A=A= Ca, Sr, Ba, and Eu) DhakaPRB13 ; XuPRX13 ; Pandey13 , as compared to the other related parent compounds AAFe2As2 DhakaPRL11 ; DhakaPRBrc14 . Moreover, the appearance of a small intensity pocket at the Γ\Gamma(0,0) point at EFE_{\rm F} in EuCo2As2 [see Fig. 1(d)] clearly suggests a shift in the Fermi level, which may be different from the other AACo2As2 (A=A= Ca, Sr, Ba) compounds.

Therefore, to further understand the electronic structure of these samples, we performed theoretical calculations for all the samples at the same k{\it k}z points and compared the calculated FS maps in Figs. 1(e–h), respectively.

Refer to caption
Figure 2: Fermi surface maps of CaCo2As2 measured with 135 eV photon energy and at different sample temperatures.
Refer to caption
Figure 3: The photoemission intensity maps of ACo2As2 (A = Ca, Sr, Ba, Eu) plotted at different binding energies, as marked on the top of each panel. Panel (a) CaCo2As2 (135 eV, 20 K), panel (b) for SrCo2As2 (140 eV, 90 K), panel (c) for BaCo2As2 (135 eV, 200 K), and panels (d, e) for EuCo2As2 [(d) 135 eV and (e) 115 eV, 200 K]. The intensity of the photoelectrons is integrated within ±10\pm 10 meV about the corresponding binding energy value in each panel.

In case of CaCo2As2, four patches of intensity (along the kxk_{x}, kyk_{y} directions) around the Γ\Gamma point and large elliptical pockets across the XX points are clearly seen in Fig. 1(e). Overall, the theoretically-calculated FS topology clearly shows significant changes between the Ca, Sr, Ba, and Eu members, see Figs. 1(e–h). Also, the FS maps of ACo2As2 (A = Ca, Sr, Ba, Eu) are very different from the other related parent compounds of the 122 family such as CaFe2As2 and BaFe2As2 DhakaPRBrc14 ; KondoPRB10 . However, if we see the FS plotted about 400 meV below EFE_{\rm F} (discussed later) DhakaPRB13 , it is very similar to that of BaFe2As2, where the FSs are roughly circular in shape and are roughly similar in size KondoPRB10 . This clearly indicates a shift of about 400 meV in the Fermi energy by completely replacing Fe with Co in these systems DhakaPRB13 ; XuPRX13 . It is important to note here that the overall shape of the measured FSs in Figs. 1(a–d) is in relatively good agreement with the respective calculations in Figs. 1(e–h).

As discussed above, in case of CaCo2As2 sample, the magnetization measurements show an AFM transition at 52 K VivekPRB14 . Also, it is important to note here that the ARPES studies of Ba(Fe1-xRux)2As2 and Ba(Fe1-xCox)2As2 show significant changes in the band structure with sample temperature DhakaPRL13 ; Brouet13 . Moreover, it was shown that temperature-dependent FS nesting may play an important role in driving the AFM-paramagnetic phase transition in these materials LiuPRL09 ; KondoPRB10 ; DhakaPRL11 ; LiuNP10 . Therefore, to get more insights for understanding whether there are changes in the band structure of CaCo2As2 with temperature across the AFM transition temperature (TN), we measured the FSs with 135 eV photon energy using a synchrotron radiation source. In Fig. 2, the FSs are shown at different sample temperatures from 20 to 240 K, which confirm that there are no notable differences in the FS topology measured below [Fig. 2(a)] and above [Figs. 2(b–d)] (TNT_{\rm N}). Further, as the FS of AAFe2As2 below TNT_{\rm N} shows a reconstruction LiuNP10 , which is clearly absent in the FS of CaCo2As2 measured at 20 K, see Fig. 2(a). These results indicate that the electron correlations are moderate in the AACo2As2 family, as the overall mass enhancement of the Co 3dd electrons is found to be smaller MaoPRB18 as compared to the Fe 3dd electrons in AAFe2As2 based compounds LiuPRL09 ; KondoPRB10 ; DhakaPRL11 ; LiuNP10 .

Refer to caption
Refer to caption
Figure 4: Experimental band dispersion data of CaCo2As2 (panel a) and SrCo2As2 (panel c) measured with 135 eV and 140 eV photon energies, and the corresponding theoretical band dispersions in panels (b) and (d), respectively. The locations of the cuts #1, #2, #3 and #4 are marked in Fig. 1(a). In panels (c) and (d), cuts#1 and #3 are similar to the reported in our publication Pandey13 , reconstructed for comparison.

In order to compare the FS topology at different binding energies, we show the (kx,ky)(k_{\it x},k_{\it y}) plots from 0 to 700 meV below EF for all the samples in Fig. 3. For the CaCo2As2, we observe a decrease in the intensity of the small pockets around the zone center along with a shape change at the corner of the BZ, see panel (a) in Fig. 3. At 400 meV below EF, a small pocket is clearly seen at the center of the BZ, which grows in size with further increase in the binding energy. At the same time, the shape of the pocket at the corner is very similar to that of the electron pocket observed in AAFe2As2 samples. Similar changes are observed for the SrCo2As2 sample, as shown in panel (b) except that the center pocket appeared at around 300 meV below EF, and the size of both the pockets at the center and at the corner of the BZ is almost similar at 400 meV. For the BaCo2As2 sample, a small intensity of the central pocket is visible at 200 meV, see panel (c), and again the size of both pockets is similar at 300-400 meV below EF. Interestingly, in case of the EuCo2As2, the central pocket is already visible at EF, see panels (d, e), measured at 135 eV and 115 eV photon energies, respectively. Further, the size and shape of both pockets at the center and corner of the BZ look similar for all the samples at around 400 meV below EF except for EuCo2As2. More carefully, if we compare the size of the pocket at the BZ center at 700 meV below EF for all the samples, it qualitatively increases from Ca to Sr to Ba to Eu. These (kx,ky)(k_{\it x},k_{\it y}) plots of AACo2As2 further motivated us to investigate the low-energy band structure in detail by plotting the band dispersion and comparing them with those calculated theoretically along different momentum (kx,ky)(k_{\it x},k_{\it y}) directions.

Refer to caption
Refer to caption
Figure 5: Experimental band dispersion data of BaCo2As2 (panel aa) and EuCo2As2 (panel cc) measured with 135 eV photon energy. The plots in panels bb and dd are the corresponding theoretical band dispersions. The locations of the cuts #1, #2, #3 and #4 are marked in Fig. 1(a).

Therefore, to elucidate the character of these FS pockets, we extracted in-plane dispersions for all the samples and shown the energy-momentum intensity plots in Figs. 4 and 5 along the four different cuts #1, #2, #3 and #4. These cuts are from (kx,ky)=(k_{\it x},k_{\it y})= (-2π\pi, 0 to 2π\pi, 0), (2π\pi, π\pi to -2π\pi, π-\pi), (0, -2π\pi to 2π\pi, 0), (-2π\pi, 2π\pi to 2π\pi, -2π\pi), respectively, as marked in Fig. 1(a). The band dispersions measured with 135 eV photon energy are shown in Fig. 4 for the AACo2As2 (A=A= Ca, Sr) samples. The photoelectron intensity along the cut #1 at the center of the BZ (Γ\Gamma point) is not very clear for the these samples; however, we clearly observe two small electron pockets centered at the Fermi momenta of kFx±0.7π/ak_{\rm F\it x}\approx\pm 0.7\pi/a. Interestingly, the top of the hole pocket at the center of the BZ is clearly seen at about 400 meV below EFE_{\rm F}. Moreover, we find a large electron pocket with kFy=±0.65π/ak_{\rm F\it y}=\pm 0.65\pi/a in the band dispersion plotted along the cut #2 at the corner of the first BZ at X=(π,π){\it X}=(\pi,\pi). In the cut #3, the data show a large electron pocket with kF=±0.65π/ak_{\rm F}=\pm 0.65\pi/a and high intensity peak at the XX point. For comparison, we have also plotted the data along the cut #4, which again shows large electron pockets at the XX points. To get more insights, it is important to compare the experimental results with theoretical calculations, and therefore, we present the calculated band dispersions in the lower panels for Fig. 4 along all four different cuts. We find a reasonable qualitative agreement between the theoretical and measured data.

Moreover, in Fig. 5, we show the low-energy band structure of BaCo2As2 and EuCo2As2 samples to understand the character of the FS pockets. We note here that the band dispersions of BaCo2As2 are very similar to those of SrCo2As2 except that the small-intensity electron-like bands are visible at the center of the BZ for BaCo2As2, which are found to be slightly stronger when measured with hν=h\nu= 85 eV in Ref. DhakaPRB13 . Also, the slope of the hole bands is more slanting in AACo2As2 (A=A= Sr, Ba) in comparison to CaCo2As2, see for example cuts # 1 and #4 in Figs. 4 and 5.

It is intriguing to see the band structure of EuCo2As2, which is found to be significantly different from the other AACo2As2 (A=A= Ca, Sr, Ba) samples, see Figs. 4 and 5. We observe that the intensity of two smaller electron pockets at Fermi momenta kFx=±0.9π/ak_{\rm F\it x}=\pm 0.9\pi/a reduced significantly and the top of the hole band at the center of the BZ (Γ\Gamma point) is about 300 meV below EFE_{\rm F}, see along the cut #1. This indicates that in the case of EuCo2As2, the rigid band shift at the center of the BZ is smaller (\approx300 meV) than in the other AACo2As2 (A=A= Ca, Sr, Ba) compounds (400 meV). Therefore, the Fermi momentum of the electron pocket at the Γ\Gamma point kFx=±0.15π/ak_{\rm F\it x}=\pm 0.15\pi/a is also slightly smaller than in BaCo2As2 DhakaPRB13 . At the corner of the first BZ [X=(π,π)X=(\pi,\pi)], we observe a larger electron pocket for AACo2As2 with kF=±0.65π/ak_{\rm F}=\pm 0.65\pi/a (along both the cuts #2 and #3) as compared to the AFe2As2 compounds DhakaPRL11 . The data through cut #4 again confirm the presence of large electron pockets at the XX points and a smaller electron pocket at the Γ\Gamma point. The band structure plots obtained from the FP-LAPW calculations, shown in the lower panels of Fig. 5, are in reasonable agreement with the experimentally-observed band dispersions.

Now we discuss the broad comparison of the band structure and FS topology between ACo2As2 and AFe2As2 compounds. Overall, the electronic DOS(EE) of the ACo2As2 samples are found to be similar to those of the Fe-based compounds. However, we observe a band shift of 300–500 meV below EF due to extra dd electron in Co as compared to Fe DhakaPRB13 ; Pandey13 ; Sefat09 ; Singh09 , which may reflect the high intensity peak at EF. Note that the Co dx2y2d_{x^{2}-y^{2}} orbital has a larger bandwidth (between 5-5 eV and 2 eV) than the Fe dd orbitals (from 2-2 eV to 2 eV) SinghPRL08 . Therefore, a complex multi-band Fermi surface is observed in the ARPES measurements on the AACo2As2 compounds along with the large DOS at EF with no apparent nesting DhakaPRB13 ; XuPRX13 . In this scenario, the band structure of ACo2As2 MaoPRB18 appears significantly different at EF with respect to that of BaFe2As2. Also, as noted above, CaCo2As2 shows magnetic ordering at low temperature; however, APRES measurements across the magnetic transition indicate no significant changes in the band structure. Similarly, a complex FS structure of EuRh2As2 and BaNi2As2 has been reported using ARPES, but no signature of band folding due to magnetic ordering was observed, which indicates a weak coupling between layers PalczewskiPRB12 ; Zhou11 . Moreover, a significant decrease in electronic correlation is reported in BaCr2As2 RichardPRB17 ; NayakPNAS17 . Note that in the AACo2As2 compounds a considerable decrease in interlayer distance and zAs results in different correlation strengths MaoPRB18 when compared with iron pnictides YinNM11 .

Refer to caption
Figure 6: (a–c) Fermi surface (FS) maps of AACo2As2 (A=A= Ca, Eu, Sr) measured with photon energy of 100 eV and at 90 K, where the first BZ boundaries are shown by black-dashed square. (d–f) Photoemission intensity maps are plotted at EF0.4E_{\rm F}-0.4 eV. These maps in (a–f) are constructed by integrating the intensity of the photoelectrons within ±10\pm 10 meV. (g–i) The band dispersions along the (0,-2π\pi to 2π\pi,0) direction from (a–c), respectively, and the corresponding energy dispersive curves (EDCs) are shown in (j–l).

Finally, we compare the FSs and low-energy band structures, in Fig. 6 of AACo2As2 (A=A= Ca, Eu, Sr) measured at 90 K with 100 eV photon energy. The intensity of photoelectrons along (kxk_{\it x}, kyk_{\it y}) is plotted at EFE_{\rm F} in Figs. 6(a–c) and at 400 meV below EFE_{\rm F} in Figs. 6(d–f). The FS plots at EFE_{\rm F} show a long segment of intensity across the XX points (corners of the BZ). The FS plots at 400 meV below EFE_{\rm F} show clear changes in the FS shape at the XX point, which changes from a large segment to an oval–shape pocket and approximately similar size as the pocket at the center of the BZ (Γ\Gamma point). These results demonstrate the rigid band-like shift of 300-400 meV (depending on AA) below EFE_{\rm F} for AACo2As2 as compared to AAFe2As2. Figures 6(g–i) show the band dispersion data plotted across the corner of the BZ (XX point) i.e. from (0, -2π\pi) to (2π\pi, 0) and the corresponding energy dispersive curves (EDCs) are shown in Figs. 6(j–l). Again, for all these compounds we observe a large electron pocket at the XX point and the bottom of this pocket is about 500 meV below EFE_{\rm F}. More interestingly, we reveal a rather large flat band, driven by the Co 3dx2y2d_{x^{2}-y^{2}} orbital, in close vicinity of EFE_{\rm F} with strong intensity near the XX point in both the experimental and calculated data of AACo2As2 compounds DhakaPRB13 , as shown in Fig. 4 [cuts #2, #3 and #4 of panel (a)] as well as in Fig. 6. In ARPES measurements on the Fe1.03Te0.94S0.06 superconductor, Starowicz etal.etal. observed a flat band at the Fermi level, which gives rise to high density of states at EFE_{\rm F} Starowicz13 . This was explained in terms of as a Van Hove singularity, which is believed to play an important role in the emergence of superconductivity in Fe-based compounds Starowicz13 . The presence of a large density of states near EFE_{\rm F} due to a nearly flat band at the corner of the BZ is crucial to understand the physical properties of the AACo2As2 compounds.

IV Conclusions

We have presented a comprehensive study of the electronic properties of the AACo2As2 (A=A= Ca, Sr, Ba, and Eu) compounds using ARPES and theoretical FP-LAPW calculations. The FSs of these compounds are different from those of the parent compounds of FeAs-based high-temperature superconductors. The band dispersion data show a small electron pocket at the center and large electron pockets at the corner of the Brillouin zone. The experimental data agree reasonably well with the theoretical calculations. The absence of the FS nesting in AACo2As2 is in contrast to the AAFe2As2 compounds. However, the top of the hole bands is found to be moved 300–400 meV below EF (depending on AA) resulting an appearance of a small electron pocket at the center of the BZ. More interestingly, we observe large flat bands near EF, which result in a large density of states and could be responsible for the interesting physical properties of these materials. Furthermore, no significant changes are observed in the FS topology of CaCo2As2 between 20 and 300 K across the AFM transition. We discuss similarities and differences in the electronic properties of AACo2As2 with respect to the parent AFe2As2 compounds of 122 family.

V Acknowledgments

We thank Aaron Bostwick and Eli Rotenberg for excellent support at the ALS. This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. The Advanced Light Source is supported by the Office of Basic Energy Sciences, U. S. Department of Energy under Contract No. DE-AC02-05CH11231. RSD also acknowledges the support by BRNS through a DAE Young Scientist Research Award with Project Sanction No. 34/20/12/2015/BRNS.

References

  • (1) J. G. Bednorz and K. A. Mu¨\ddot{\rm u}ller, Possible high–Tc superconductivity in the Ba-La-Cu-O system, Z. Phys. B 64, 189 (1986).
  • (2) A. Schilling, M. Cantoni, J. D. Guo, and H. R. Ott, Superconductivity above 130 K in the Hg-Ba-Ca-Cu-O system, Nature 363, 56 (1993).
  • (3) C. W. Chu, L. Gao, Z. J. Huang, R. L. Meng, and Y. Y. Xue, Superconductivity above 150 K in HgBa2Ca2Cu3O8+δ at high pressures, Nature 365, 323 (1993).
  • (4) Y. Kamihara, T. Watanabe, M. Hirano, and H. Hosono, Iron-Based Layered Superconductor La(O1-xFx)FeAs (x=x= 0.05–0.12) with Tc=T_{\rm c}= 26 K, J. Am. Chem. Soc. 130, 3296 (2008).
  • (5) H. Takahashi, K. Igawa, K. Arii, Y. Kamihara, M. Hirano, and H. Hosono, Superconductivity at 43 K in an iron-based layered compound LaO1-xFxFeAs, Nature 453, 376 (2008).
  • (6) X. H. Chen, T. Wu, G. Wu, R. H. Liu, H. Chen, and D. F. Fang, Superconductivity at 43 K in SmFeAsO1-xFx, Nature 453, 761 (2008).
  • (7) G. F. Chen, Z. Li, D. Wu, G. Li, W. Z. Hu, J. Dong, P. Zheng, J. L. Luo, and N. L. Wang, Superconductivity at 41 K and its competition with spin-density-wave instability in layered CeO1-xFxFeAs, Phys. Rev. Lett. 100, 247002 (2008).
  • (8) M. Rotter, M. Tegel, and D. Johrendt, Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2, Phys. Rev. Lett. 101, 107006 (2008).
  • (9) H. Q. Yuan, J. Singleton, F. F. Balakirev, S. A. Baily, G. F. Chen, J. L. Luo, and N. L. Wang, Nearly isotropic superconductivity in (Ba, K)Fe2As2, Nature 457, 565 (2009).
  • (10) C. de la Cruz, Q. Huang, J. W. Lynn, L. Jiying, W. Ratcliff II, J. L. Zaretski, H. A. Mook, G. F. Chen, J. L. Luo, N. L. Wang, and P. Dai, Magnetic order close to superconductivity in the iron-based layered LaO1-xFxFeAs systems, Nature 453, 899 (2008).
  • (11) A. S. Sefat, R. Jin, M. A. McGuire, B. C. Sales, D. J. Singh, and D. Mandrus, Superconductivity at 22 K in Co-doped BaFe2As2 crystals, Phys. Rev. Lett. 101, 117004 (2008).
  • (12) F. Wang and D.-H. Lee, The electron-pairing mechanism of iron-based superconductors, Science 332, 200 (2011).
  • (13) D. C. Johnston, The puzzle of high temperature superconductivity in layered iron pnictides and chalcogenides, Adv. Phys. 59, 803 (2010).
  • (14) P. C. Canfield and S. L. Bud’ko, FeAs-based superconductivity: a case study of the effects of transition metal doping on BaFe2As2, Annu. Rev. Condens. Matter Phys. 1, 27 (2010).
  • (15) D. K. Pratt, W. Tian, A. Kreyssig, J. L. Zarestky, S. Nandi, N. Ni, S. L. Bud’ko, P. C. Canfield, A. I. Goldman, and R. J. McQueeney, Coexistence of competing antiferromagnetic and superconducting phases in the underdoped Ba(Fe0.953Co0.047)2As2 compound using x-ray and neutron scattering techniques, Phys. Rev. Lett. 103, 087001 (2009).
  • (16) G. Liu, H. Liu, L. Zhao, W. Zhang, X. Jia, J. Meng, X. Dong, J. Zhang, G. F. Chen, G. Wang, Y. Zhou, Y. Zhu, X. Wang, Z. Xu, C. Chen, and X. J. Zhou, Band-structure reorganization across the magnetic transition in BaFe2As2 seen via high-resolution angle-resolved photoemission, Phys. Rev. B 80, 134519 (2009).
  • (17) L. X. Yang, Y. Zhang, H. W. Ou, J. F. Zhao, D. W. Shen, B. Zhou, J. Wei, F. Chen, M. Xu, C. He, Y. Chen, Z. D. Wang, X. F. Wang, T. Wu, G. Wu, X. H. Chen, M. Arita, K. Shimada, M. Taniguchi, Z. Y. Lu, T. Xiang, and D. L. Feng, Electronic structure and unusual exchange splitting in the spin-density-wave state of the BaFe2As2 parent compound of iron-based superconductors, Phys. Rev. Lett. 102, 107002 (2009).
  • (18) Y. Zhang, J. Wei, H. W. Ou, J. F. Zhao, B. Zhou, F. Chen, M. Xu, C. He, G. Wu, H. Chen, M. Arita, K. Shimada, H. Namatame, M. Taniguchi, X. H. Chen, and D. L. Feng, Unusual doping dependence of the electronic structure and coexistence of spin-density-wave and superconductor phases in single crystalline Sr1-xKxFe2As2, Phys. Rev. Lett. 102, 127003 (2009).
  • (19) M. Yi, D. H. Lu, J. G. Analytis, J.-H. Chu, S.-K. Mo, R.-H. He, M. Hashimoto, R. G. Moore, I. I. Mazin, D. J. Singh, Z. Hussain, I. R. Fisher, and Z.-X. Shen, Unconventional electronic reconstruction in undoped (Ba, Sr)Fe2As2 across the spin density wave transition, Phys. Rev. B 80, 174510 (2009).
  • (20) Chang Liu, T. Kondo, Ni Ni, A. D. Palczewski, A. Bostwick, G. D. Samolyuk, R. Khasanov, M. Shi, E. Rotenberg, S. L. Bud’ko, P. C. Canfield, and A. Kaminski, Three- to two-dimensional transition of the electronic structure in CaFe2As2: a parent compound for an iron arsenic high-temperature superconductor, Phys. Rev. Lett. 102, 167004 (2009).
  • (21) T. Kondo, R. M. Fernandes, R. Khasanov, C. Liu, A. D. Palczewski, N. Ni, M. Shi, A. Bostwick, E. Rotenberg, J. Schmalian, S. L. Bud’ko, P. C. Canfield, and A. Kaminski, Unexpected Fermi-surface nesting in the pnictide parent compounds BaFe2As2 and CaFe2As2 revealed by angle-resolved photoemission spectroscopy, Phys. Rev. B 81, 060507(R) (2010).
  • (22) R. S. Dhaka, C. Liu, R. M. Fernandes, R. Jiang, C. P. Strehlow, T. Kondo, A. Thaler, J. Schmalian, S. L. Bud’ko, P. C. Canfield, and A. Kaminski, What controls the phase diagram and superconductivity in Ru substituted BaFe2As2?, Phys. Rev. Lett. 107, 267002 (2011).
  • (23) C. Liu, T. Kondo, R. M. Fernandes, A. D. Palczewski, E. D. Mun, N. Ni, A. N. Thaler, A. Bostwick, E. Rotenberg, J. Schmalian, S. L. Bud’ko, P. C. Canfield, and A. Kaminski, Evidence for a Lifshitz transition in electron-doped iron arsenic superconductors at the onset of superconductivity, Nature Phys. 6, 419 (2010).
  • (24) D. J. Singh and M.-H. Du, Density functional study of LaFeAsO1-xFx: a low carrier density superconductor near itinerant magnetism, Phys. Rev. Lett. 100, 237003 (2008).
  • (25) I. I. Mazin, Superconductivity gets an iron boost, Nature 464, 183 (2010).
  • (26) I. I. Mazin, D. J. Singh, M. D. Johannes, and M. H. Du, Unconventional superconductivity with a sign reversal in the order parameter of LaFeAsO1-xFx, Phys. Rev. Lett. 101, 057003 (2008).
  • (27) R. S. Dhaka, S. E. Hahn, E. Razzoli, R. Jiang, M. Shi, B. N. Harmon, A. Thaler, S. L. Bud’ko, P. C. Canfield, and A. Kaminski, Unusual temperature dependence of band dispersion in Ba(Fe1-xRux)2As2 and its consequences for antiferromagnetic ordering, Phys. Rev. Lett. 110, 067002 (2013).
  • (28) C. Liu, A. D. Palczewski, R. S. Dhaka, T. Kondo, R. M. Fernandes, E. D. Mun, H. Hodovanets, A. N. Thaler, J. Schmalian, S. L. Bud’ko, P. C. Canfield, and A. Kaminski, Importance of the Fermi-surface topology to the superconducting state of the electron-doped pnictide Ba(Fe1-xCox)2As2, Phys. Rev. B 84, 020509(R) (2011).
  • (29) S. Thirupathaiah, S. de Jong, R. Ovsyannikov, H. A. Du¨\ddot{u}rr, A. Varykhalov, R. Follath, Y. Huang, R. Huisman, M. S. Golden, Y.-Z. Zhang, H. O. Jeschke, R. Valentí, A. Erb, A. Gloskovskii, and J. Fink, Orbital character variation of the Fermi surface and doping dependent changes of the dimensionality in BaFe2-xCoxAs2 from angle-resolved photoemission spectroscopy, Phys. Rev. B 81, 104512 (2010).
  • (30) V. Brouet, M. Marsi, B. Mansart, A. Nicolaou, A. Taleb-Ibrahimi, P. Le Fèvre, F. Bertran, F. Rullier-Albenque, A. Forget, and D. Colson, Nesting between hole and electron pockets in Ba(Fe1-xCox)2As2(x=x= 0–0.3) observed with angle-resolved photoemission, Phys. Rev. B 80, 165115 (2009).
  • (31) Y. Sekiba, T. Sato, K. Nakayama, K. Terashima, P. Richard, J. H. Bowen, H. Ding, Y. -M. Xu, L. J. Li, G. H. Cao, Z. -A. Xu and T. Takahashi, Electronic structure of heavily electron-doped BaFe1.7Co0.3As2 studied by angle-resolved photoemission, New J. Phys. 11, 025020 (2009).
  • (32) S. Ideta, T. Yoshida, I. Nishi, A. Fujimori, Y. Kotani, K. Ono, Y. Nakashima, S. Yamaichi, T. Sasagawa, M. Nakajima, K. Kihou, Y. Tomioka, C. H. Lee, A. Iyo, H. Eisaki, T. Ito, S. Uchida, and R. Arita, Dependence of carrier doping on the impurity potential in transition-metal-substituted FeAs-based superconductors, Phys. Rev. Lett. 110, 107007 (2013).
  • (33) L. Liu, T. Mikami, S. Ishida, K. Koshiishi, K. Okazaki, T. Yoshida, H. Suzuki, M. Horio, L. C. C. Ambolode II, J. Xu, H. Kumigashira, K. Ono, M. Nakajima, K. Kihou, C. H. Lee, A. Iyo, H. Eisaki, T. Kakeshita, S. Uchida, and A. Fujimori, In-plane electronic anisotropy in the antiferromagnetic orthorhombic phase of isovalent-substituted Ba(Fe1-xRux)2As2, Phys. Rev. B 92, 094503 (2015).
  • (34) A. Pandey, D. G. Quirinale, W. Jayasekara, A. Sapkota, M. G. Kim, R. S. Dhaka, Y.Lee, T. W. Heitmann, P. W. Stephens, V. Ogloblichev, A. Kreyssig, R. J. McQueeney, A. I. Goldman, A. Kaminski, B. N. Harmon, Y. Furukawa, and D. C. Johnston, Crystallographic, electronic, thermal and magnetic properties of single-crystal SrCo2As2, Phys. Rev. B 88, 014526 (2013).
  • (35) V. K. Anand, R. S. Dhaka, Y. Lee, B. N. Harmon, A. Kaminski, and D. C. Johnston, Physical properties of metallic antiferromagnetic CaCo1.86As2 single crystals, Phys. Rev. B 89, 214409 (2014).
  • (36) B. Li, B. G. Ueland, W. T. Jayasekara, D. L. Abernathy, N. S. Sangeetha, D. C. Johnston, Q. -P. Ding, Y. Furukawa, P. P. Orth, A. Kreyssig, A. I. Goldman, and R. J. McQueeney, Competing magnetic phases and itinerant magnetic frustration in SrCo2As2, Phys. Rev. B 100, 054411 (2019).
  • (37) N. S. Sangeetha, V. K. Anand, E. Cuervo-Reyes, V. Smetana, A.-V. Mudring, and D. C. Johnston, Enhanced moments of Eu in single crystals of the metallic helical antiferromagnet EuCo2-yAs2, Phys. Rev. B 97, 144403 (2018).
  • (38) A. Sapkota, B. G. Ueland, V. K. Anand, N. S. Sangeetha, D. L. Abernathy, M. B. Stone, J. L. Niedziela, D. C. Johnston, A. Kreyssig, A. I. Goldman, and R. J. McQueeney, Effective one-dimensional coupling in the highly frustrated square-lattice itinerant magnet CaCo2-yAs2, Phys. Rev. Lett. 119, 147201 (2017).
  • (39) Q.-P. Ding, N. Higa, N. S. Sangeetha, D. C. Johnston, and Y. Furukawa, NMR determination of an incommensurate helical antiferromagnetic structure in EuCo2As2, Phys. Rev. B 95, 184404 (2017).
  • (40) W. T. Jayasekara, U. S. Kaluarachchi, B. G. Ueland, A. Pandey, Y. B. Lee, V. Taufour, A. Sapkota, K. Kothapalli, N. S. Sangeetha, G. Fabbris, L. S. I. Veiga, Y. Feng, A. M. dos Santos, S. L. Bud’ko, B. N. Harmon, P. C. Canfield, D. C. Johnston, A. Kreyssig, and A. I. Goldman, Pressure-induced collapsed-tetragonal phase in SrCo2As2, Phys. Rev. B 92, 224103 (2015).
  • (41) J. J. Ying, Y. J. Yan, A. F. Wang, Z. J. Xiang, P. Cheng, G. J. Ye, and X. H. Chen, Metamagnetic transition in Ca1-xSrxCo2As2(x=x= 0 and 0.1) single crystals, Phys. Rev. B 85, 214414 (2012).
  • (42) B. Cheng, B. F. Hu, R. H. Yuan, T. Dong, A. F. Fang, Z. G. Chen, G. Xu, Y. G. Shi, P. Zheng, J. L. Luo, and N. L. Wang, Field-induced spin-flop transitions in single-crystalline CaCo2As2, Phys. Rev. B 85, 144426 (2012).
  • (43) M. Bishop, W. Uhoya, G. Tsoi, Y. K. Vohra, A. S. Sefat, and B. C. Sales, Formation of collapsed tetragonal phase in EuCo2As2 under high pressure, J. Phys.: Condens. Matter 22, 425701 (2010).
  • (44) A. S. Sefat, D. J. Singh, R. Jin, M. A. McGuire, B. C. Sales, and D. Mandrus, Renormalized behavior and proximity of BaCo2As2 to a magnetic quantum critical point, Phys. Rev. B 79, 024512 (2009).
  • (45) V. K. Anand, D. G. Quirinale, Y. Lee, B. N. Harmon, Y. Furukawa, V. V. Ogloblichev, A. Huq, D. L. Abernathy, P. W. Stephens, R. J. McQueeney, A. Kreyssig, A. I. Goldman, and D. C. Johnston, Crystallography and physical properties of BaCo2As2, Ba0.94K0.06Co2As2, and Ba0.78K0.22Co2As2, Phys. Rev. B 90, 064517 (2014).
  • (46) W. Jayasekara, Y. B. Lee, A. Pandey, G. S. Tucker, A. Sapkota, J. Lamsal, S. Calder, D. A. Abernathy, B. N. Harmon, A. Kreyssig, D. Vaknin, D. C. Johnston, A. I. Goldman, and R. J. McQueeney, Stripe antiferromagnetic spin fluctuations in SrCo2As2, Phys. Rev. Lett. 111, 157001 (2013).
  • (47) A. Leithe-Jasper, W. Schnelle, C. Geibel, and H. Rosner, Superconducting state in SrFe2-xCoxAs2 by internal doping of the iron arsenide layers, Phys. Rev. Lett. 101, 207004 (2008).
  • (48) J. Ballinger, L. E. Wenger, Y. K. Vohra, and A. S. Sefat, Magnetic properties of single crystal EuCo2As2, J. Appl. Phys. 111, 07E106 (2012).
  • (49) R. S. Dhaka, Y. Lee, V. K. Anand, D. C. Johnston, B. N. Harmon, and A. Kaminski, Angle-resolved photoemission spectroscopy study of BaCo2As2, Phys. Rev. B 87, 214516 (2013).
  • (50) N. Xu, P. Richard, A. van Roekeghem, P. Zhang, H. Miao, W.-L. Zhang, T. Qian, M. Ferrero, A. S. Sefat, S. Biermann, and H. Ding, Electronic band structure of BaCo2As2: a fully doped ferropnictide analog with reduced electronic correlations, Phys. Rev. X 3, 011006 (2013).
  • (51) J. Mansart, P. L. Fevre, F. Bertran, A. Forget, D. Colson, and V. Brouet, Influence of surface symmetry breaking on the magnetism, collapsing, and three-dimensional dispersion of the Co pnictides AACo2As2 (A=A= Ba, Sr, Ca), Phys. Rev. B 94, 235147 (2016).
  • (52) J. P. Perdew and Y. Wang, Accurate and simple analytic representation of the electron-gas correlation energy, Phys. Rev. B 45, 13244 (1992).
  • (53) R. S. Dhaka, R. Jiang, S. Ran, S. L. Bud’ko, P. C. Canfield, B. N. Harmon, M. Tomić, R. Valentí, Y. Lee, and A. Kaminski, Dramatic changes in the electronic structure upon transition to the collapsed tetragonal phase in CaFe2As2, Phys. Rev. B 89, 020511(R) (2014).
  • (54) V. Brouet, P. -H. Lin, Y. Texier, J. Bobroff, A. Taleb-Ibrahimi, P. Le Fèvre, F. Bertran, M. Casula, P. Werner, S. Biermann, F. Rullier-Albenque, A. Forget, and D. Colson, Large temperature dependence of the number of carriers in Co-doped BaFe2As2, Phys. Rev. Lett. 110, 167002 (2013).
  • (55) H. Mao and Z. Yin, Electronic structure and spin dynamics of AACo2As2 (A=A= Ba, Sr, Ca), Phys. Rev. B 98, 115128 (2018).
  • (56) D. J. Singh, Properties of KCo2As2 and alloys with Fe and Ru: density functional calculations, Phys. Rev. B 79, 174520 (2009).
  • (57) A. D. Palczewski, R. S. Dhaka, Y. Lee, Y. Singh, D. C. Johnston, B. N. Harmon, and A. Kaminski, Experimental and theoretical electronic structure of EuRh2As2, Phys. Rev. B 85, 174509 (2012).
  • (58) B. Zhou, M. Xu, Y. Zhang, G. Xu, C. He, L. X. Yang, F. Chen, B. P. Xie, X.-Y. Cui, M. Arita, K. Shimada, H. Namatame, M. Taniguchi, X. Dai, and D. L. Feng, Electronic structure of BaNi2As2, Phys. Rev. B 83, 035110 (2011).
  • (59) P. Richard, A. van Roekeghem, B. Q. Lv, T. Qian, T. K. Kim, M. Hoesch, J.-P. Hu, A. S. Sefat, S. Biermann, and H. Ding, Is BaCr2As2 symmetrical to BaFe2As2 with respect to half 3dd shell filling?, Phys. Rev. B 95, 184516 (2017).
  • (60) J. Nayak, K. Filsinger, G. H. Fecher, S. Chadov, J. Minár, E. D. L. Rienks, B. Bu¨\ddot{\rm u}chner, S. P. Parkin, J. Fink, and C. Felser, Observation of a remarkable reduction of correlation effects in BaCr2As2 by ARPES, Proce. Nat. Acad. of Sci. USA 114, 12425 (2017).
  • (61) Z. P. Yin, K. Haule, and G. Kotliar, Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides, Nat. Mater. 10, 932 (2011).
  • (62) P. Starowicz, H. Schwab, J. Goraus, P. Zajdel, F. Forster, J. R. Rak, M. A. Green, I. Vobornik, and F. Reinert, A flat band at the chemical potential of a Fe1.03Te0.94S0.06 superconductor observed by angle-resolved photoemission spectroscopy, J. Phys.: Condens. Matter 25, 195701 (2013).