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Volumn 94, Issue 12, 2005, Pages

Jahn-Teller stabilization of a "Polar" metal oxide surface: Fe3O4(001)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO THERMODYNAMICS; CURIE TEMPERATURE; DENSITY FUNCTIONAL THEORY (DFT); GENERALIZED GRADIENT APPROXIMATIONS (GGA); JAHN-TELLER STABILIZATION; METAL-METAL TRANSITIONS;

EID: 18244392692     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.126101     Document Type: Article
Times cited : (185)

References (30)
  • 1
    • 18244387921 scopus 로고
    • European Patent No. EP 0 672 303 Al
    • M. A. M. Gijs and P. J. Kelly, European Patent No. EP 0 672 303 Al (1995).
    • (1995)
    • Gijs, M.A.M.1    Kelly, P.J.2
  • 10
  • 15
    • 18244399822 scopus 로고
    • Defects in Semiconductors, edited by H. J. Bardeleben, (Trans Tech Publications, Ltd., Aedermannsdorf, Switzerland)
    • C. M. Weinert and M. Scheffler, in Defects in Semiconductors, edited by H. J. Bardeleben, Materials Science Forum Vols. 10-12 (Trans Tech Publications, Ltd., Aedermannsdorf, Switzerland, 1986), p. 25.
    • (1986) Materials Science Forum , vol.10-12 , pp. 25
    • Weinert, C.M.1    Scheffler, M.2
  • 23
    • 18244363056 scopus 로고    scopus 로고
    • note
    • The total energy as a function of the distortion shows a cusp at the symmetric initial configuration and is thus in accord with the Jahn-Teller theorem.
  • 24
    • 18244365796 scopus 로고    scopus 로고
    • private communication
    • M. Fonin et al. (private communication).
    • Fonin, M.1
  • 25
    • 18244390919 scopus 로고    scopus 로고
    • R. Pentcheva et al. (to be published)
    • R. Pentcheva et al. (to be published).
  • 26
    • 18244374404 scopus 로고    scopus 로고
    • note
    • Besides 0.02% Mn no contaminations of the crystal were detected with x-ray fluorescence spectroscopy.
  • 28
    • 18244386193 scopus 로고    scopus 로고
    • note
    • STM simulations performed in the Tersoff-Hamann model are consistent with the STM images of Stanka et al. [10], These results will be published elsewhere.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.