High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials

Abstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are ca...

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Autores principales:	Duc Ba Nguyen, Hiep Phi Trinh
Formato:	article
Lenguaje:	EN
Publicado:	SpringerOpen 2021
Materias:	Morse potential parameter State equation Correlation function Elastic constant Mean square relative displacement Engineering (General). Civil engineering (General) TA1-2040
Acceso en línea:	https://doaj.org/article/7a33a134f38a4b6bbac338c0777174fc
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spelling	oai:doaj.org-article:7a33a134f38a4b6bbac338c0777174fc2021-11-14T12:16:28ZHigh-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials10.1186/s44147-021-00015-x1110-19032536-9512https://doaj.org/article/7a33a134f38a4b6bbac338c0777174fc2021-10-01T00:00:00Zhttps://doi.org/10.1186/s44147-021-00015-xhttps://doaj.org/toc/1110-1903https://doaj.org/toc/2536-9512Abstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are calculated through theoretical interatomic Morse potential parameters, by using the sublimation energy, the compressibility, and the lattice constant in the expanded X-ray absorption fine structure spectrum. Numerical results agree well with the experimental values and other theories.Duc Ba NguyenHiep Phi TrinhSpringerOpenarticleMorse potential parameterState equationCorrelation functionElastic constantMean square relative displacementEngineering (General). Civil engineering (General)TA1-2040ENJournal of Engineering and Applied Science, Vol 68, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Morse potential parameter State equation Correlation function Elastic constant Mean square relative displacement Engineering (General). Civil engineering (General) TA1-2040
spellingShingle	Morse potential parameter State equation Correlation function Elastic constant Mean square relative displacement Engineering (General). Civil engineering (General) TA1-2040 Duc Ba Nguyen Hiep Phi Trinh High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
description	Abstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are calculated through theoretical interatomic Morse potential parameters, by using the sublimation energy, the compressibility, and the lattice constant in the expanded X-ray absorption fine structure spectrum. Numerical results agree well with the experimental values and other theories.
format	article
author	Duc Ba Nguyen Hiep Phi Trinh
author_facet	Duc Ba Nguyen Hiep Phi Trinh
author_sort	Duc Ba Nguyen
title	High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
title_short	High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
title_full	High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
title_fullStr	High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
title_full_unstemmed	High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
title_sort	high-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic morse potentials
publisher	SpringerOpen
publishDate	2021
url	https://doaj.org/article/7a33a134f38a4b6bbac338c0777174fc
work_keys_str_mv	AT ducbanguyen highpressurestudyofthermodynamicparametersofdiamondtypestructuredcrystalsusinginteratomicmorsepotentials AT hiepphitrinh highpressurestudyofthermodynamicparametersofdiamondtypestructuredcrystalsusinginteratomicmorsepotentials
_version_	1718429295234252800

High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials

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