High-Pressure Phases of SnO and PbO: A Density Functional Theory Combined with an Evolutionary Algorithm Approach

High-Pressure Phases of SnO and PbO: A Density Functional Theory Combined with an Evolutionary Algorithm Approach

Tin monoxide, SnO, and its analog, lead monoxide, PbO, have the same tetragonal <i>P4/nmm</i> structure, shaped by nonbonding dispersion forces and lone pairs. The high-pressure phases of SnO and PbO have been explored in several experimental and theoretical studies, with conflicting res...

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Detalles Bibliográficos
Autores principales: Long Truong Nguyen, Guy Makov
Formato: article
Lenguaje:EN
Publicado: MDPI AG 2021
Materias:
phase transition
high-pressure
density-functional theory
evolution algorithm
Technology
T
Electrical engineering. Electronics. Nuclear engineering
TK1-9971
Engineering (General). Civil engineering (General)
TA1-2040
Microscopy
QH201-278.5
Descriptive and experimental mechanics
QC120-168.85
Acceso en línea:https://doaj.org/article/8dc20e087f4c4db385d3490ca9918739
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https://doaj.org/article/8dc20e087f4c4db385d3490ca9918739

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