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Title: Electronic structure of CuTeO 4 and its relationship to cuprates

Based on first-principles calculations, the electronic structure of CuTeO 4 is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO 4 is similar to these cuprates, exhibiting a quasi-two-dimensional electronic structure that involves hybridized Cu- d and O-p states in the vicinity of the Fermi level, along with an antiferromagnetic insulating ground state. Lastly, hole- doping this material by substituting Te 6+ with Sb 5+ would be of significant interest.
Authors:
 [1] ;  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-98CH1088; AC0298CH1088
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 11; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1352604
Alternate Identifier(s):
OSTI ID: 1346763