Implications of Band-Structure Calculations for High- T c Related Oxides
作者： Key Taeck Park , Kiyoyuki Terakura , Tamio Oguchi , Akira Yanase , Minoru Ikeda
DOI: 10.1143/JPSJ.57.3445
关键词:
摘要: We have performed band calculatons for the high- T c related oxides, La 2 CuO 4 , YBa Cu 3 O y ( =6 or 7), CaCu 6 CuO, and also NiO with full-potential linear augmented plane wave method in order to derive information about characteristic aspects of these materials. pay particular attention energy separation between oxygen p copper d levels, assignment a orbital extra hole accommodation, significance - hopping, occupancy two-dimensional Cu-O bands, valency.
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sci-hub.se 参考文章(40)
V. L. Moruzzi, A. R. Williams, James F. Janak, Calculated electronic properties of metals ,(1978)
Yoshiteru Maeno, Masatsune Kato, Yuji Aoki, Toshizo Fujita, Superconductivity in Impurity-Induced Tetragonal YBa2(Cu1-xFex)3O7-δ Japanese Journal of Applied Physics. ,vol. 26, ,(1987) , 10.1143/JJAP.26.L1982
Eiji Takayama-Muromachi, Yoshishige Uchida, Atsushi Fujimori, Katsuo Kato, Superconductivity of La1+xBa2-xCu3Oy System: Which Layers are Doped with Carriers? Japanese Journal of Applied Physics. ,vol. 26, pp. 1546- 1549 ,(1987) , 10.1143/JJAP.26.L1546
Z. Z. Wang, J. Clayhold, N. P. Ong, J. M. Tarascon, L. H. Greene, W. R. McKinnon, G. W. Hull, Variation of superconductivity with carrier concentration in oxygen-doped YBa2Cu3O7-y. Physical Review B. ,vol. 36, pp. 7222- 7225 ,(1987) , 10.1103/PHYSREVB.36.7222
G. A. Sawatzky, J. W. Allen, Magnitude and Origin of the Band Gap in NiO Physical Review Letters. ,vol. 53, pp. 2339- 2342 ,(1984) , 10.1103/PHYSREVLETT.53.2339
Frank Herman, Robert V. Kasowski, William Y. Hsu, Electronic structure of oxygen-deficient high-Tc superconductors: YBa2Cu Physical Review B. ,vol. 36, pp. 6904- 6914 ,(1987) , 10.1103/PHYSREVB.36.6904
F. C. Zhang, T. M. Rice, Effective Hamiltonian for the superconducting Cu oxides Physical Review B. ,vol. 37, pp. 3759- 3761 ,(1988) , 10.1103/PHYSREVB.37.3759
J. B. Torrance, Y. Tokura, A. Nazzal, S. S. P. Parkin, Metallic, but not superconducting, La-Ba (and La-Sr) copper oxides. Physical Review Letters. ,vol. 60, pp. 542- 545 ,(1988) , 10.1103/PHYSREVLETT.60.542
B. M. Klein, L. L. Boyer, D. A. Papaconstantopoulos, Superconducting Properties ofA15Compounds Derived from Band-Structure Results Physical Review Letters. ,vol. 42, pp. 530- 533 ,(1979) , 10.1103/PHYSREVLETT.42.530
Takeo Fujiwara, Yasuhiro Hatsugai, Electronic Structure of HighTcSuperconducting Layered Perovskite La-Cu-O and Y-Ba-Cu-O by LMTO Method Japanese Journal of Applied Physics. ,vol. 26, pp. L716- L718 ,(1987) , 10.1143/JJAP.26.L716