TY - JOUR
T1 - Electronic structure and properties of YBa2Cu3O7-δ, a low dimensional, low density of states superconductor
AU - Massidda, S.
AU - Yu, Jaejun
AU - Freeman, A. J.
AU - Koelling, D. D.
N1 - Funding Information:
This work was supported by the National Science Foundation (DMR grant No. 85-20280) through the Northwestern University Materials Research Center and DMR grant No. 85-18607, and a computing grant from its Division for Advanced Scientific Computing and by the Department of Energy (contract No. W-3 1-! 09-ENG-38). We are grateful to NASA Ames personnel in the NAS program for help with the use of their CRAY2 and to C.L. Fu, K.R. Poeppelmeier, J. Redinger and J.-H. Xu for helpful discussions.
PY - 1987/6/8
Y1 - 1987/6/8
N2 - The electronic structure of the high Tc superconductor, YBa2Cu3O7-δ, determined from highly precise all-electron local density calculations yields a relatively simple highly 2D electronic band structure consisting of two 2D Cu2-O and two 1D Cu1-O bands (one almost empty and one almost full at δ=0, becoming full at δ≥0.1) near EF. Detailed features (multi-peaks) of the density of states (DOS) are correlated with the band structure of the 36 Cu-O band complex. Surprising features include: (i) the low DOS at EF, especially for δ≥0.1 which is much longer than that in La2-xSrxCuO4 - in agreement with experiment - and (ii) a relatively large magnetic Stoner factor.
AB - The electronic structure of the high Tc superconductor, YBa2Cu3O7-δ, determined from highly precise all-electron local density calculations yields a relatively simple highly 2D electronic band structure consisting of two 2D Cu2-O and two 1D Cu1-O bands (one almost empty and one almost full at δ=0, becoming full at δ≥0.1) near EF. Detailed features (multi-peaks) of the density of states (DOS) are correlated with the band structure of the 36 Cu-O band complex. Surprising features include: (i) the low DOS at EF, especially for δ≥0.1 which is much longer than that in La2-xSrxCuO4 - in agreement with experiment - and (ii) a relatively large magnetic Stoner factor.
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U2 - 10.1016/0375-9601(87)90806-1
DO - 10.1016/0375-9601(87)90806-1
M3 - Article
AN - SCOPUS:33750011134
SN - 0375-9601
VL - 122
SP - 198
EP - 202
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 3-4
ER -