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Structural and vibrational study of pseudocubic CdIn2Se4 under compression

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Structural and vibrational study of pseudocubic CdIn2Se4 under compression

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Santamaría Pérez, D.; Gomis, O.; Pereira, ALJ.; Vilaplana Cerda, RI.; Popescu, C.; Sans Tresserras, JÁ.; Manjón Herrera, FJ.... (2014). Structural and vibrational study of pseudocubic CdIn2Se4 under compression. Journal of Physical Chemistry C. 118(46):26987-26999. doi:10.1021/jp5077565

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Title: Structural and vibrational study of pseudocubic CdIn2Se4 under compression
UPV Unit: Universitat Politècnica de València. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica
Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada
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We report a comprehensive experimental and theoretical study of the structural and vibrational properties of a-CdIn2Se4 under compression. Angle-dispersive synchrotron X-ray diffraction and Raman spectroscopy evidence that ...[+]
Subjects: Ordered-vacancy compounds , Initio molecular-dynamics , Induced phase-transitions , Total-Energy calculations , Augmented-wave method , High-pressure , Ab initio , Raman-Scattering , Hydrostatic pressure , Compound semiconductors , Pseudocubic , X-ray diffraction
Copyrigths: Reserva de todos los derechos
Journal of Physical Chemistry C. (issn: 1932-7447 ) (eissn: 1932-7455 )
DOI: 10.1021/jp5077565
American Chemical Society
Publisher version: http://dx.doi.org/10.1021/jp5077565
Description: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp5077565
This study was supported by the Spanish government MEC under Grant Nos: MAT2013-46649-C4-3-P, MAT2013-46649-C4-2-P, MAT2010-21270-C04-03/04, and CTQ2009-14596-C02-01, by MALTA Consolider Ingenio 2010 Project (CSD2007-00045) ...[+]
Type: Artículo

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