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J H Xu, T J Watson-yang, J Yu and A J Freeman, , Phys. Lett. A 120, p.489(1987).
Google Scholar
[3]
W E Pickett et al, Phys. Rev. B 35:p.7252(1987).
Google Scholar
[4]
Xie Sishen�Crystal Structure of High Temperature Superconductor. Zhang Qirui, editor in chief. High Temperature Superconductivity.Publishing Company Of Zhejiang University,1992 � P55~105.(in Chinese)
Google Scholar
[5]
D R Hamann and L F Mattheiss, Phys. Rev. B 38: p.5138(1988).
Google Scholar
[6]
J Yu, S Massidda and A J Freeman, Physica C152: p.273(1988).
Google Scholar
[7]
R V Kasowski et al, Phys. Rev. B 38: p.6470(1988).
Google Scholar
[8]
Payne, M.C. & Teter, M. P. & Allan, D.C. & Arias, T. A. & Joannopoulos, J. D., Rev. Mod. Phys., 1992(64), pp.1045-1097.
Google Scholar
[9]
Milman, V. & Winkler, B. & White, J. A. & Pickard, C. J. & Payne, M. C. & Akhmatskaya, E. V. & Nobes, R. H., Int. J. Quant. Chem., 2000(77), pp.895-910.
DOI: 10.1002/(sici)1097-461x(2000)77:5<895::aid-qua10>3.0.co;2-c
Google Scholar
[10]
Segall, M. D.& Lindan, P. L. D.& Probert, M. J.& Pickard, C. J.& Hasnip, P. J.& Clark, S. J.& Payne, M. C., J. Phys.: Cond. Matt., 2002(14), pp.2717-2743
Google Scholar
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M. D. Segall, P. L. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, J. Phys.: Cond. Matt. 14(11) pp.2717-2743 (2002).
Google Scholar
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Burns G ed. An Introduction of High Temperature Superconductivity, 1996, P55~75.
Google Scholar