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Volumn 59, Issue 2, 1999, Pages 762-774

First-principles study on electronic structures and phase stability of mno and feo under high pressure

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Indexed keywords


EID: 0000747290     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.762     Document Type: Article
Times cited : (120)

References (50)
  • 1
    • 85038321835 scopus 로고    scopus 로고
    • N. F. Mott, Metal-insulator Transitions (Taylor & Francis Ltd., London, 1974).
    • N. F. Mott, Metal-insulator Transitions (Taylor & Francis Ltd., London, 1974).
  • 28
  • 40
    • 85038325513 scopus 로고    scopus 로고
    • Phys. Rev. B (to be published).
    • I. V. Solovyev and K. Terakura, Phys. Rev. B (to be published).
    • Solovyev, I.V.1    Terakura, K.2
  • 43
    • 0001270202 scopus 로고
    • Prog. Theor. Phys.J. Kanamori17, 197 (1957).
    • (1957) , vol.17 , pp. 197
    • Kanamori, J.1
  • 45
    • 35949017919 scopus 로고
    • )], where the atomic radii were taken as 2.785 (Fe) and 2.2 a.u. (O), and the valence states were expanded in terms of (Formula presented) and (Formula presented) basis orbitals. The SOC was included in the pseudoperturbation manner.
    • We use the nearly orthogonal ASA-LMTO method [O. Gunnarsson, O. Jepsen, and O. K. Andersen, Phys. Rev. B 27, 7144 (1983)], where the atomic radii were taken as 2.785 (Fe) and 2.2 a.u. (O), and the valence states were expanded in terms of (Formula presented) and (Formula presented) basis orbitals. The SOC was included in the pseudoperturbation manner.
    • (1983) Phys. Rev. B , vol.27 , pp. 7144
    • Gunnarsson, O.1    Jepsen, O.2    Andersen, O.K.3
  • 48
    • 0343993914 scopus 로고
    • Interscience, New York
    • R. W. G. Wyckof, Crystal Structures (Interscience, New York, 1963), Vol. 1, p. 124.
    • (1963) Crystal Structures , vol.1 , pp. 124
    • Wyckof, R.W.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.