High-pressure phases of crystalline tellurium: A combined Raman and ab initio study (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• High-pressure phases of crystalline tellurium: A combined Raman and ab initio study (Articolo in rivista) (literal)

Anno

• 2012-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1103/PhysRevB.86.064103 (literal)

Alternative label

• C. Marini1,2, D. Chermisi1, M. Lavagnini3, D. Di Castro4, C. Petrillo5, L. Degiorgi3, S. Scandolo6, and P. Postorino1 (2012)
  High-pressure phases of crystalline tellurium: A combined Raman and ab initio study
  in Physical review. B, Condensed matter and materials physics
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• C. Marini1,2, D. Chermisi1, M. Lavagnini3, D. Di Castro4, C. Petrillo5, L. Degiorgi3, S. Scandolo6, and P. Postorino1 (literal)

Pagina inizio

• 64103-1 (literal)

Pagina fine

• 64103-5 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://link.aps.org/doi/10.1103/PhysRevB.86.064103DOI: (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 86 (literal)

Rivista

• Physical review. B, Condensed matter and materials physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 5 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 6 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1Dipartimento Fisica, Universitá di Roma \"Sapienza\", P.le A. Moro 2, I-00185 Roma, Italy, and CNR-IOM 2European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, BP220, 38043 Grenoble Cedex, France 3Laboratorium für Festkörperphysik, ETH-Zürich, CH-8093 Zürich, Switzerland 4CNR-SPIN and Dipartimento di Ingegneria Informatica Sistemi e Produzione, Università di Roma \"Tor Vergata\", Via del Politecnico 1, I-00133 Roma, Italy 5Dipartimento di Fisica Universitá di Perugia and CNR-IOM, Unitá di Perugia Via Alessandro Pascoli, I-06123 Perugia, Italy 6\"Democritos\" CNR-INFM National Simulation Centre, Trieste, Italy and The Abdus Salam International Centre for Theoretical Physics, Trieste, Italy (literal)

Titolo

• High-pressure phases of crystalline tellurium: A combined Raman and ab initio study (literal)

Abstract

• A room temperature study of the high-pressure phases of crystalline Te was carried out by combining Raman spectroscopy and density functional theory (DFT)-based calculations. The pressure dependence of the experimental phonon spectrum reveals the occurrence of phase transitions, confirming the high-pressure scenario recently proposed by Hejny and McMahon. The effects of the incommensurate lattice modulation on the vibrational properties of Te are discussed. DFT-based calculations are consistent with the present and previous experimental data and show that the metallization process at 4 GPa is due to charge-bridges between atoms belonging to adjacent chains. A first-principles study of the stability of the 4 GPa phase is here reported and discussed against the insurgence of lattice modulation. (literal)

Prodotto di

• Proprietà fondamentali di materiali funzionali e applicazioni per l'energetica (MD.P04.026.002) (Modulo)

Autore CNR

• CATERINA PETRILLO (Persona)
• DANIELE DI CASTRO (Persona)

Incoming links:

Autore CNR di

• CATERINA PETRILLO (Persona)
• DANIELE DI CASTRO (Persona)

Prodotto

• Proprietà fondamentali di materiali funzionali e applicazioni per l'energetica (MD.P04.026.002) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physical review. B, Condensed matter and materials physics (Rivista)