Direct spectroscopic evidence for completely filled Cu 3d shell in BaCu2As2 and α-BaCu2Sb2

Wu, S. F.; Richard, P.; van Roekeghem, A.; Nie, S. M.; Miao, H.; Xu, N.; Qian, T.; Saparov, Bayrammurad I.; Fang, Z.; Biermann, S.; Sefat, Athena Safa; Ding, H.

doi:10.1103/PhysRevB.91.235109

Title: Direct spectroscopic evidence for completely filled Cu 3d shell in BaCu₂As₂ and α-BaCu₂Sb₂

Journal Article · Mon Jun 08 00:00:00 EDT 2015 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.91.235109· OSTI ID:1286872

Wu, S. F. ^[1]; Richard, P. ^[2]; van Roekeghem, A. ^[3]; Nie, S. M. ^[1]; Miao, H. ^[1]; Xu, N. ^[4]; Qian, T. ^[1]; Saparov, Bayrammurad I. ^[5]; Fang, Z. ^[2]; Biermann, S. ^[6]; Sefat, Athena Safa ^[5]; Ding, H. ^[2]

Chinese Academy of Sciences (CAS), Beijing (China)
Chinese Academy of Sciences (CAS), Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
Chinese Academy of Sciences (CAS), Beijing (China) ; Ecole Polytechnique, Palaiseau (France)
Paul Scherrer Inst. (PSI), Villigen (Switzerland). Swiss Light Source
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Ecole Polytechnique, Palaiseau (France); France College, Paris (France); European Theoretical Synchrotron Facility (ETSF) (Europe)

In this study, we use angle-resolved photoemission spectroscopy to extract the band dispersion and the Fermi surface of BaCu₂As₂ and α-BaCu₂Sb₂. While the Cu 3d bands in both materials are located around 3.5 eV below the Fermi level, the low-energy photoemission intensity mainly comes from As 4p states, suggesting a completely filled Cu 3d shell. The splitting of the As 3d core levels and the lack of pronounced three-dimensionality in the measured band structure of BaCu₂As₂ indicate a surface state likely induced by the cleavage of this material in the collapsed tetragonal phase, which is consistent with our observation of a Cu⁺¹ oxidation state. However, the observation of Cu states at similar energy in α-BaCu₂Sb₂ without the pnictide-pnictide interlayer bonding characteristic of the collapsed tetragonal phase suggests that the short interlayer distance in BaCu₂As₂ follows from the stability of the Cu⁺¹ rather than the other way around. In conclusion, our results confirm the prediction that BaCu₂As₂ is an sp metal with weak electronic correlations.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1286872

Alternate ID(s):: OSTI ID: 1184060

Journal Information:: Physical Review B, Vol. 91, Issue 23; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 15 works

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