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Study of the orpiment and anorpiment phases of As2S3 under pressure

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Study of the orpiment and anorpiment phases of As2S3 under pressure

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Nombre: 151 JPCS950_042018.pdf
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dc.contributor.author Randescu, Silvana es_ES
dc.contributor.author Mújica, Andrés es_ES
dc.contributor.author Rodríguez-Hernández, Plácida es_ES
dc.contributor.author Muñoz, Alfonso es_ES
dc.contributor.author Ibañez, Jordi es_ES
dc.contributor.author Sans-Tresserras, Juan Ángel es_ES
dc.contributor.author Cuenca Gotor, Vanesa Paula es_ES
dc.contributor.author Manjón, Francisco-Javier es_ES
dc.date.accessioned 2018-05-13T04:27:28Z
dc.date.available 2018-05-13T04:27:28Z
dc.date.issued 2017 es_ES
dc.identifier.issn 1742-6588 es_ES
dc.identifier.uri http://hdl.handle.net/10251/101856
dc.description.abstract [EN] In this work we study the pressure behaviour of the orpiment (monoclinic) and anorpiment (triclinic) layered structures of As2S3 by means of ab initio calculations performed within the density functional theory, as part of an ongoing theoretical and experimental joint effort to provide a comprehensive picture of the bonding of this interesting material and the evolution of its structural, electronic, and vibrational properties under pressure. es_ES
dc.description.sponsorship The authors acknowledge the financial support from the Ministerio de Economia y Competitividad (MINECO) of Spain through Projects No. MAT2013-46649-C04-02-P and MAT2013-46649-C04-03-P. Computer time in the MALTA computer cluster at the University of Oviedo, Spain, is also gratefully acknowledged (MINECO Project No. CSD2007-00045).
dc.language Inglés es_ES
dc.publisher IOP Publishing es_ES
dc.relation.ispartof Journal of Physics: Conference Series es_ES
dc.rights Reconocimiento (by) es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Study of the orpiment and anorpiment phases of As2S3 under pressure es_ES
dc.type Artículo es_ES
dc.type Comunicación en congreso es_ES
dc.identifier.doi 10.1088/1742-6596/950/4/042018 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2013-46649-C4-2-P/ES/OXIDOS METALICOS ABO3 EN CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada es_ES
dc.description.bibliographicCitation Randescu, S.; Mújica, A.; Rodríguez-Hernández, P.; Muñoz, A.; Ibañez, J.; Sans-Tresserras, JÁ.; Cuenca Gotor, VP.... (2017). Study of the orpiment and anorpiment phases of As2S3 under pressure. Journal of Physics: Conference Series. 950:042018-042018. https://doi.org/10.1088/1742-6596/950/4/042018 es_ES
dc.description.accrualMethod S es_ES
dc.relation.conferencename Joint AIRAPT-25th & EHPRG-53rd International Conference on High Pressure Science and Technology es_ES
dc.relation.conferencedate August 30-September 04,2015 es_ES
dc.relation.conferenceplace Madrid, Spain es_ES
dc.relation.publisherversion http://doi.org/10.1088/1742-6596/950/4/042018 es_ES
dc.description.upvformatpinicio 042018 es_ES
dc.description.upvformatpfin 042018 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 950 es_ES
dc.relation.pasarela S\351912 es_ES
dc.contributor.funder Ministerio de Educación y Ciencia es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
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