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Volumn 92, Issue 25, 2008, Pages

Interface phase and tuning of polarization in metal-ferroelectric junctions: A theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

FERROELECTRIC FILMS; FERROELECTRICITY; METALS; PHASE INTERFACES; POLARIZATION; TUNING;

EID: 46049091569     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2948899     Document Type: Article
Times cited : (6)

References (15)
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    • Electronic structure calculations have been performed using the PWscf package ().
    • Electronic structure calculations have been performed using the PWscf package (S. Baroni, A. Dal Corso, S. De Gironcoli, and P. Giannozzi, http://www.pwscf.org).
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    • We used the maximally localized Wannier functions [, PRBMDO 0163-1829 10.1103/PhysRevB.56.12847, ()] as implemented in the WanT code () for the determination of the Wannier centers. The disentanglement procedure [, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035109 65, 035109 (2001)] was applied before starting the localization algorithm, since the bands of the metal and the valence bands of the oxide are mixed in the full supercell calculation.
    • We used the maximally localized Wannier functions [N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12847 56, 12847 (1997)] as implemented in the WanT code (A. Ferretti, B. Bonferroni, A. Calzolari, and M. Buongiorno Nardelli, http://www.wannier-transport.org) for the determination of the Wannier centers. The disentanglement procedure [I. Souza, N. Marzari, and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035109 65, 035109 (2001)] was applied before starting the localization algorithm, since the bands of the metal and the valence bands of the oxide are mixed in the full supercell calculation.
    • (1997) Phys. Rev. B , vol.56 , pp. 12847
    • Marzari, N.1    Vanderbilt, D.2    Ferretti, A.3    Bonferroni, B.4    Calzolari, A.5    Buongiorno Nardelli, M.6    Souza, I.7    Marzari, N.8    Vanderbilt, D.9
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    • Onset of ferroelectricity and the hidden nature of nanoscale polarization in ferroelectric thin films (submitted)
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.