Characterization and Decomposition of the Natural van der Waals SnSb 2 Te 4 under Compression.

Autor:	Sans JA; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain., Vilaplana R; Centro de Tecnologías Físicas, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain., da Silva EL; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain., Popescu C; ALBA-CELLS, Barcelona, Spain., Cuenca-Gotor VP; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain., Andrada-Chacón A; Departamento de Química-Física, MALTA-Consolider Team, Universidad Complutense de Madrid, Madrid, Spain., Sánchez-Benitez J; Departamento de Química-Física, MALTA-Consolider Team, Universidad Complutense de Madrid, Madrid, Spain., Gomis O; Centro de Tecnologías Físicas, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain., Pereira ALJ; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain.; Grupo de Pesquisa de Materiais Fotonicos e Energia Renovavel - MaFER, Universidade Federal da Grande Dourados, Dourados, MS 79825-070, Brazil., Rodríguez-Hernández P; Departamento de Física, MALTA-Consolider Team, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, Tenerife, Spain., Muñoz A; Departamento de Física, MALTA-Consolider Team, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, Tenerife, Spain., Daisenberger D; Diamond Light Source Limited, Didcot, Oxon, England., García-Domene B; Departamento de Física Aplicada-ICMUV, MALTA-Consolider Team, Universidad de Valencia, Valencia, Spain., Segura A; Departamento de Física Aplicada-ICMUV, MALTA-Consolider Team, Universidad de Valencia, Valencia, Spain., Errandonea D; Departamento de Física Aplicada-ICMUV, MALTA-Consolider Team, Universidad de Valencia, Valencia, Spain., Kumar RS; Department of Physics, University of Illinois at Chicago, Chicago Illinois 60607-7059, United States., Oeckler O; Institut für Mineralogie, Kristallographie und Materialwissenschaft, Universität Leipzig, Leipzig, Germany., Urban P; Institut für Mineralogie, Kristallographie und Materialwissenschaft, Universität Leipzig, Leipzig, Germany., Contreras-García J; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005, Paris, France., Manjón FJ; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA-Consolider Team, Universitat Politècnica de València, Valencia, Spain.
Jazyk:	angličtina
Zdroj:	Inorganic chemistry [Inorg Chem] 2020 Jul 20; Vol. 59 (14), pp. 9900-9918. Date of Electronic Publication: 2020 Jul 08.
DOI:	10.1021/acs.inorgchem.0c01086
Abstrakt:	High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of the topological electron density and electronic localization function, evidence the presence of an isostructural phase transition around 2 GPa, a Fermi resonance around 3.5 GPa, and a pressure-induced decomposition of SnSb 2 Te 4 into the high-pressure phases of its parent binary compounds (α-Sb 2 Te 3 and SnTe) above 7 GPa. The internal polyhedral compressibility, the behavior of the Raman-active modes, the electrical behavior, and the nature of its different bonds under compression have been discussed and compared with their parent binary compounds and with related ternary materials. In this context, the Raman spectrum of SnSb 2 Te 4 exhibits vibrational modes that are associated but forbidden in rocksalt-type SnTe; thus showing a novel way to experimentally observe the forbidden vibrational modes of some compounds. Here, some of the bonds are identified with metavalent bonding, which were already observed in their parent binary compounds. The behavior of SnSb 2 Te 4 is framed within the extended orbital radii map of BA 2 Te 4 compounds, so our results pave the way to understand the pressure behavior and stability ranges of other "natural van der Waals" compounds with similar stoichiometry.
Databáze:	MEDLINE
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