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Volumn 141, Issue 11, 2014, Pages

Covalent dependence of octahedral rotations in orthorhombic perovskite oxides

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; OXYGEN; PEROVSKITE; ROTATION;

EID: 84907486996     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4895967     Document Type: Article
Times cited : (74)

References (58)
  • 1
    • 0042373222 scopus 로고
    • H. Schmidt, Phys. Rev. 156, 552 (1967). 10.1103/PhysRev.156.552
    • (1967) Phys. Rev. , vol.156 , pp. 552
    • Schmidt, H.1
  • 36
    • 25744460922 scopus 로고
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 44
    • 84907548692 scopus 로고    scopus 로고
    • See supplementary material at http://dx.doi.org/10.1063/1.4895967 E-JCPSA6-141-057436 for discussion of covalency in solids, and additional density-of-states plots for various orthorhombic perovskite ferrates.
  • 53
    • 84884853067 scopus 로고    scopus 로고
    • Note that our pseudopotential for Eu atom does not treat the 4 f electron states as valence; however, such localized orbitals can significantly alter the B -O covalency, and hence the magnetic and lattice dynamic properties of the system as described by [, ]. Thus, the role of additional valence electrons should be carefully examined.
    • Note that our pseudopotential for Eu atom does not treat the 4 f electron states as valence; however, such localized orbitals can significantly alter the B -O covalency, and hence the magnetic and lattice dynamic properties of the system as described by Birol and Fennie [Phys. Rev. B 88, 094103 (2013)]. Thus, the role of additional valence electrons should be carefully examined. 10.1103/PhysRevB.88.094103
    • (2013) Phys. Rev. B , vol.88 , pp. 094103
    • Birol1    Fennie2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.