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Título:	Lattice dynamics of bismuth tellurohalides
Autor:	Sklyadneva, Irina Yu.; Heid, Rolf; Bohnen, Klaus-Peter; Echenique, Pedro M. CSIC ORCID; Chulkov, Eugene V. CSIC ORCID
Fecha de publicación:	2012
Editor:	American Physical Society
Citación:	Physical Review B 86: 094302 (2012)
Resumen:	Lattice dynamics of two bismuth tellurohalides, BiTeI and BiTeCl, and the influence of spin-orbit coupling on their vibrational properties are investigated using first-principles calculations in the density functional perturbation formalism. We also report on the Raman study of these bismuth tellurohalides as well as BiTeBr. It is shown that the inclusion of spin-orbit interaction results in a sizable softening of the phonon spectra of BiTeI and BiTeCl. For both compounds a strong anisotropy in the dielectric tensor and in the Born effective charges is found. Predicted Raman active mode frequencies in BiTeI and BiTeCl are in good agreement with the experimental Raman data.
Descripción:	et al.
Versión del editor:	http://dx.doi.org/10.1103/PhysRevB.86.094302
URI:	http://hdl.handle.net/10261/102014
DOI:	10.1103/PhysRevB.86.094302
Identificadores:	doi: 10.1103/PhysRevB.86.094302 issn: 1098-0121 e-issn: 1550-235X
Aparece en las colecciones:	(CFM) Artículos

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Lattice dynamics of bismuth tellurohalides