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Título: | Metavalent bonding under pressure: the case of orpiment |
Autor: | Cuenca-Gotor, V. P.; Sans, Juan Angel; Gomis, Óscar; Mujica, A.; Radescu, S.; Muñoz, A. CSIC; Rodríguez-Hernández, P.; Lora da Silva, E.; Popescu, C.; Ibáñez Insa, Jordi CSIC ORCID ; Vilaplana, R.; Manjón, F. J. | Palabras clave: | Spectroscopy structural studies Chemical Bonding at High Pressures |
Fecha de publicación: | 1-sep-2019 | Resumen: | Metavalent or resonant bonding is a recently proposed new class of bonding that is intermediate between p-type covalent bonding and metallic bonding. It characterizes a new family of materials known as “incipient metals” [1]. Metavalent bonding occurs in materials where there is a deficiency of valence electrons in the unit cell to form a large number of bonds, such as in octahedrally-coordinated rocksalt-related structures occurring in GeTe, SnTe, PbSe, PbTe, Sb2Te3, Bi2Te3, Bi2Se3, Sb, Bi and AgSb2Te4. The main characteristics of metavalent bonding are: i) a much higher cation coordination than that assumed with the 8-N rule; ii) very high Born effective charge and optical dielectric constant as compared to typical covalent materials; iii) high mode Grüneisen parameters of phonons and low wavenumbers of optical phonons as compared to typical covalent materials; and iv) a moderately high electrical conductivity caused by thesmall bandgap which stems from the partial delocalization of electrons between several bonds | Descripción: | 57th European High Pressure Research Group Meeting on High Pressure Science and Technology (EHPRG2019) in Prague, 1-6 september 2019 | URI: | http://hdl.handle.net/10261/204455 |
Aparece en las colecciones: | (Geo3Bcn) Comunicaciones congresos |
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