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Title: Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in BaMn 2 As 2 and BaMn 2 Sb 2

Abstract

We performed an angle-resolved photoemission spectroscopy study of BaMn 2As 2 and BaMn 2Sb 2, which are isostructural to the parent compound BaFe 2As 2 of the 122 family of ferropnictide superconductors. We show the existence of a strongly k z-dependent band gap with a minimum at the Brillouin zone center, in agreement with their semiconducting properties. Despite the half filling of the electronic 3d shell, we show that the band structure in these materials is almost not renormalized from the Kohn-Sham bands of density functional theory. Finally, our photon-energy-dependent study provides evidence for Mn-pnictide hybridization, which may play a role in tuning the electronic correlations in these compounds.

Authors:
 [1];  [2];  [3];  [1];  [4];  [5];  [6];  [1];  [1];  [1];  [1];  [7];  [8];  [7];  [9];  [10];  [2]
  1. Chinese Academy of Sciences (CAS), Beijing (China)
  2. Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Chinese Academy of Sciences, Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
  3. Chinese Academy of Sciences (CAS), Beijing (China); Univ. Paris-Saclay, Palaiseau (France); CEA, LITEN, Grenoble (France)
  4. Chinese Academy of Sciences (CAS), Beijing (China); Paul Scherrer Inst. (PSI), Villigen (Switzerland)
  5. Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Tokyo, Chiba (Japan)
  6. Chinese Academy of Sciences (CAS), Beijing (China); Brookhaven National Lab. (BNL), Upton, NY (United States)
  7. Chinese Academy of Sciences (CAS), Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
  8. Chinese Academy of Sciences (CAS), Beijing (China); Princeton Univ., Princeton, NJ (United States)
  9. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  10. Univ. Paris-Saclay, Palaiseau (France); College de France, Paris (France); European Theoretical Synchrotron Facility (France)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1339406
Alternate Identifier(s):
OSTI ID: 1330481; OSTI ID: 1345749
Report Number(s):
BNL-113593-2017-JA
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
AC05-00OR22725; SC00112704
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 15; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Zhang, W. -L., Richard, P., van Roekeghem, A., Nie, S. -M., Xu, N., Zhang, P., Miao, H., Wu, S. -F., Yin, J. -X., Fu, B. B., Kong, L. -Y., Qian, T., Wang, Z. -J., Fang, Z., Sefat, Athena Safa, Biermann, S., and Ding, H. Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in BaMn2As2 and BaMn2Sb2. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.155155.
Zhang, W. -L., Richard, P., van Roekeghem, A., Nie, S. -M., Xu, N., Zhang, P., Miao, H., Wu, S. -F., Yin, J. -X., Fu, B. B., Kong, L. -Y., Qian, T., Wang, Z. -J., Fang, Z., Sefat, Athena Safa, Biermann, S., & Ding, H. Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in BaMn2As2 and BaMn2Sb2. United States. doi:10.1103/PhysRevB.94.155155.
Zhang, W. -L., Richard, P., van Roekeghem, A., Nie, S. -M., Xu, N., Zhang, P., Miao, H., Wu, S. -F., Yin, J. -X., Fu, B. B., Kong, L. -Y., Qian, T., Wang, Z. -J., Fang, Z., Sefat, Athena Safa, Biermann, S., and Ding, H. Mon . "Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in BaMn2As2 and BaMn2Sb2". United States. doi:10.1103/PhysRevB.94.155155. https://www.osti.gov/servlets/purl/1339406.
@article{osti_1339406,
title = {Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in BaMn2As2 and BaMn2Sb2},
author = {Zhang, W. -L. and Richard, P. and van Roekeghem, A. and Nie, S. -M. and Xu, N. and Zhang, P. and Miao, H. and Wu, S. -F. and Yin, J. -X. and Fu, B. B. and Kong, L. -Y. and Qian, T. and Wang, Z. -J. and Fang, Z. and Sefat, Athena Safa and Biermann, S. and Ding, H.},
abstractNote = {We performed an angle-resolved photoemission spectroscopy study of BaMn2As2 and BaMn2Sb2, which are isostructural to the parent compound BaFe2As2 of the 122 family of ferropnictide superconductors. We show the existence of a strongly kz-dependent band gap with a minimum at the Brillouin zone center, in agreement with their semiconducting properties. Despite the half filling of the electronic 3d shell, we show that the band structure in these materials is almost not renormalized from the Kohn-Sham bands of density functional theory. Finally, our photon-energy-dependent study provides evidence for Mn-pnictide hybridization, which may play a role in tuning the electronic correlations in these compounds.},
doi = {10.1103/PhysRevB.94.155155},
journal = {Physical Review B},
number = 15,
volume = 94,
place = {United States},
year = {Mon Oct 31 00:00:00 EDT 2016},
month = {Mon Oct 31 00:00:00 EDT 2016}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865