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Volumn 42, Issue 10, 1990, Pages 6268-6282

Cuprate parameters from numerical Wannier functions

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EID: 33751233293     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.42.6268     Document Type: Article
Times cited : (241)

References (56)
  • 1
    • 84931543083 scopus 로고    scopus 로고
    • Novel Superconductivity, edited by S. A. Wolf and V. Z. Kresin (Plenum, New York, 1987); High Temperature Superconductors and Mechanisms of Superconductivity, edited by J. Müller and J. L. Olsen (North-Holland, Amsterdam, 1988) (Physica C 153–155, 1988).
  • 9
    • 84931543081 scopus 로고    scopus 로고
    • Table I gives a convenient parameter summary, including Racah coefficients and Slater integrals.
  • 28
    • 84931543080 scopus 로고    scopus 로고
    • See Table I of the second paper. We presume the monopole Up=Up( σ σ )- case 4 over 25 F2=Up( σ σ ) + case 4 over 3 Kp( σ π ).
  • 41
    • 84931543079 scopus 로고    scopus 로고
    • E. Antonides and G. A. Sawatzky, in Transition Metals (1977), Proceedings of the International Conference on the Physics of Transition Metals, edited by M. J. G. Lee, J. M. Perz, and E. Fawcett, I. P. Conf. Ser. No. 39 (IP, London, 1978), p. 134; D. van der Marel and G. A. Sawatzky, Phys. Rev. B 37, 10 674 (1988).
  • 42
    • 84931543078 scopus 로고    scopus 로고
    • C. E. Moore, Atomic Energy Levels, Natl. Bur. Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, D.C., 1952), Vol. I, p. 45; Vol. II, p. 115. A root-mean-square fit to the O (I) 2s22p4 multiplet gives F2(2p,2p) approx 6.9 eV, while a similar fit to the Cu (II) 3d84s2 multiplet gives F2(3d,3d) approx 11.5 eV and F4(3d,3d) approx 7.4 ev.
  • 48
    • 84931543096 scopus 로고    scopus 로고
    • Since Figs. 3 and 4 were obtained from the usual LMTO one-electron potential, the Cu(3d) and O(2p) occupations were not constrained to provide the true-state energy difference curlepp- curlepd. Nevertheless, these occupations are approx 1/2 hole each, and the symmetry-averaged difference curlepp- curlepd=1.7 eV in Fig. 3 is in rough accord with the 2.11 eV constrained-occupation result for Case 2 in Table III.
  • 49
    • 84931543097 scopus 로고    scopus 로고
    • See Appendix A, Ref. 16.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.