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Lattice Dynamics Study of Phonon Instability and Thermal Properties of Type-I Clathrate K(8)Si(46) under High Pressure

For a further understanding of the phase transitions mechanism in type-I silicon clathrates K(8)Si(46), ab initio self-consistent electronic calculations combined with linear-response method have been performed to investigate the vibrational properties of alkali metal K atoms encapsulated type-I sil...

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Detalles Bibliográficos
Autores principales:	Zhang, Wei, Zeng, Zhao Yi, Ge, Ni Na, Li, Zhi Guo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5509022/ https://www.ncbi.nlm.nih.gov/pubmed/28773736 http://dx.doi.org/10.3390/ma9080616

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