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Ordered helium trapping and bonding in compressed arsenolite: Synthesis of As4O6 2He

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Ordered helium trapping and bonding in compressed arsenolite: Synthesis of As4O6 2He

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dc.contributor.author Sans Tresserras, Juan Ángel es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Popescu, Catalin es_ES
dc.contributor.author Cuenca Gotor, Vanesa Paula es_ES
dc.contributor.author Gomis, Oscar es_ES
dc.contributor.author Muñoz, Alfonso es_ES
dc.contributor.author Rodríguez Hernández, Plácida es_ES
dc.contributor.author Contreras García, Julia es_ES
dc.contributor.author Pellicer Porres, Julio es_ES
dc.contributor.author Pereira, A.L.J. es_ES
dc.contributor.author Santamaría Pérez, David es_ES
dc.contributor.author Segura, Alfredo es_ES
dc.date.accessioned 2016-06-10T11:01:44Z
dc.date.available 2016-06-10T11:01:44Z
dc.date.issued 2016-02
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/65644
dc.description.abstract Compression of arsenolite has been studied from a joint experimental and theoretical point of view. Experiments on this molecular solid at high pressures with different pressure-transmitting media have been interpreted thanks to state-of-the-art ab initio calculations. Our results confirm arsenolite as one of the most compressible minerals and provide evidence for ordered helium trapping above 3 GPa between adamantane-type As4O6 cages. Our calculations indicate that, at relatively small pressures, helium establishes rather localized structural bonds with arsenic forming a compound with stoichiometry As4O6 center dot 2He. All properties of As4O6 center dot 2He are different from those of parent As4O6. In particular, pressure-induced amorphization, which occurs in arsenolite above 15 GPa, is impeded in As4O6 center dot 2He, thus resulting in a mechanical stability of As4O6 center dot 2He beyond 30 GPa. Our work paves the way to explore the formation of alternative compounds by pressure-induced trapping and reaction of gases, small atomic or molecular species, in the voids of molecular solids containing active lone electron pairs. es_ES
dc.description.sponsorship We acknowledge financial support from the Spanish Consolider Ingenio 2010 Program (Project No. MAT2015-71070-REDC). The work was also supported by Spanish MINECO under Projects No. MAT2014-46649-C4-1/2/3-P and from Vicerrectorado de Investigacion de la Universitat Politecnica de Valencia under Projects No. SP20140701 and No. SP20140871. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. J.A.S. acknowledges Juan de la Cierva fellowship program for his financial support. A.M. and P.R.-H. acknowledge S. Munoz Rodriguez for providing them with a data parsing application. A.L.J.P. acknowledges financial support through Brazilian CNPq (Project No. 201050/2012-9). en_EN
dc.language Inglés es_ES
dc.publisher American Physical Society es_ES
dc.relation.ispartof Physical review B: Condensed matter and materials physics es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject High-pressure es_ES
dc.subject Compressibility es_ES
dc.subject AS2O3 es_ES
dc.subject Refinement es_ES
dc.subject Glass es_ES
dc.subject VAN es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.subject.classification TEORIA DE LA SEÑAL Y COMUNICACIONES es_ES
dc.title Ordered helium trapping and bonding in compressed arsenolite: Synthesis of As4O6 2He es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.93.054102
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2015-71070-REDC/ES/MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM/ 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/MINECO//MAT2013-46649-C4-3-P/ES/ESTUDIO AB INITIO DE OXIDO METALICOS, MATERIALES Y NANOMATERIALES BAJO CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2013-46649-C4-1-P/ES/ORTOVANADATOS BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//SP20140701/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//SP20140871/ES/Celda de yunques de diamante no magnética para medidas de transporte/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/CNPq//201050%2F2012-9/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Comunicaciones - Departament de Comunicacions 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 Sans Tresserras, JÁ.; Manjón Herrera, FJ.; Popescu, C.; Cuenca Gotor, VP.; Gomis, O.; Muñoz, A.; Rodríguez Hernández, P.... (2016). Ordered helium trapping and bonding in compressed arsenolite: Synthesis of As4O6 2He. Physical review B: Condensed matter and materials physics. 93(5):054102 - 1-054102 - 5. https://doi.org/10.1103/PhysRevB.93.054102 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1103/PhysRevB.93.054102 es_ES
dc.description.upvformatpinicio 054102 - 1 es_ES
dc.description.upvformatpfin 054102 - 5 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 93 es_ES
dc.description.issue 5 es_ES
dc.relation.senia 303084 es_ES
dc.identifier.eissn 1550-235X
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
dc.contributor.funder Conselho Nacional de Desenvolvimento Científico e Tecnológico, Brasil es_ES
dc.contributor.funder Universitat Politècnica de València es_ES


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