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Volumn 90, Issue 9, 2014, Pages

Origin of polar distortion in LiNbO3 -type "ferroelectric" metals: Role of A -site instability and short-range interactions

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EID: 84985032229     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.90.094108     Document Type: Article
Times cited : (106)

References (27)
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    • For the perovskite structure, the tolerance factor is defined as (Equation presented) since the lattice constant (Equation presented) of an ideal cubic perovskite structure satisfies the following equation:(Equation presented). See V. M. Goldschmidt, Naturwissenschaften 14, 477 (1926). NATWAY 0028-1042 10.1007/BF01507527
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    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevB.90.094108 for the electronic structure of (Equation presented) (Equation presented) and (Equation presented), phonon dispersion of (Equation presented) (Equation presented), pair interactions between the local modes, electronic structure of the hypothetical (Equation presented) (Equation presented) structure, comparison between the perfect perovskite structure and the (Equation presented) (Equation presented) structure, and the optimized structure for (Equation presented).
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    • H. Sim and B. G. Kim, Phys. Rev. B 89, 201107 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.89.201107
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    • Sim, H.1    Kim, B.G.2


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