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Elastic and thermodynamic properties of alpha-Bi2O3 at high pressures: Study of mechanical and dynamical stability

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Elastic and thermodynamic properties of alpha-Bi2O3 at high pressures: Study of mechanical and dynamical stability

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Gomis, O.; Manjón, F.; Rodríguez-Hernández, P.; Muñoz, A. (2019). Elastic and thermodynamic properties of alpha-Bi2O3 at high pressures: Study of mechanical and dynamical stability. Journal of Physics and Chemistry of Solids. 124:111-120. https://doi.org/10.1016/j.jpcs.2018.09.002

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/156017

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Title: Elastic and thermodynamic properties of alpha-Bi2O3 at high pressures: Study of mechanical and dynamical stability
Author: Gomis, O. Manjón, Francisco-Javier Rodríguez-Hernández, Plácida MUÑOZ, ALFONSO
UPV Unit: Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Issued date:
Abstract:
[EN] The elastic and thermodynamic properties of the monoclinic polymorph of bismuth oxide (alpha-Bi2O3); aka mineral bismite, have been theoretically investigated both at room pressure and under hydrostatic compression ...[+]
Subjects: Oxides , Ab initio calculations , High pressure , Elastic properties , Thermodynamic properties
Copyrigths: Reconocimiento - No comercial - Sin obra derivada (by-nc-nd)
Source:
Journal of Physics and Chemistry of Solids. (issn: 0022-3697 )
DOI: 10.1016/j.jpcs.2018.09.002
Publisher:
Elsevier
Publisher version: https://doi.org/10.1016/j.jpcs.2018.09.002
Project ID:
info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-3-P/ES/ESTUDIO AB INITIO DE COMPUESTOS ABX4, ABO3, A2X3, PEROVSKITAS Y NANOMATERIALES BAJO CONDICIONES EXTREMAS/
info:eu-repo/grantAgreement/MINECO//MAT2015-71070-REDC/ES/MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM/
info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-2-P/ES/COMPUESTOS ABO3 Y A2X3 EN CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/
Thanks:
This research was supported by the Spanish Ministerio de Economia y Competitividad under Projects MAT2016-75586-C4-2-P/3-P and MAT2015-71070-REDC. P.R.-H. and A.M. acknowledge Red Espanola de SupercomputaciOn (RES) and ...[+]
Type: Artículo

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