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Volumn 70, Issue 20, 2004, Pages

Elastic anomaly for SrTiO3 thin films grown on Si(001)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DENSITY FUNCTIONAL THEORY; ELASTICITY; FILM; MATHEMATICAL ANALYSIS; PHOTON; POLARIZATION; RADIATION ABSORPTION; X RAY DIFFRACTION; X RAY FILM;

EID: 45849154872     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.201403     Document Type: Article
Times cited : (39)

References (19)
  • 15
    • 12844286241 scopus 로고
    • G. Kresse and J. Hafner, Phys. Rev. B 47, R558 (1993); G. Kresse and J. Furthmuller, ibid. 54, 11169 (1996); G. Kresse and D. Joubert, ibid. 59, 1758 (1999).
    • (1993) Phys. Rev. B , vol.47
    • Kresse, G.1    Hafner, J.2
  • 16
    • 2442537377 scopus 로고    scopus 로고
    • G. Kresse and J. Hafner, Phys. Rev. B 47, R558 (1993); G. Kresse and J. Furthmuller, ibid. 54, 11169 (1996); G. Kresse and D. Joubert, ibid. 59, 1758 (1999).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmuller, J.2
  • 17
    • 0011236321 scopus 로고    scopus 로고
    • G. Kresse and J. Hafner, Phys. Rev. B 47, R558 (1993); G. Kresse and J. Furthmuller, ibid. 54, 11169 (1996); G. Kresse and D. Joubert, ibid. 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 18
    • 12544249791 scopus 로고    scopus 로고
    • note
    • The generalized gradient functional was used, which typically overestimates lattice constants and gives 3.9445 Å as the bulk lattice constant of STO. Therefore, all lattice constants were rescaled by 3.9445/3.905 in the calculations. Projector augmented wave potentials and a plane-wave cut off of 400 eV were used. We used. 4 × 4 × M Monkhorst-Pack sampling of the Brillouin zone, where M≥6/N for a supercell with N layers.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.