Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations

10.1063/1.4948434

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Main Authors:	Legrain, F, Manzhos, S
Other Authors:	MECHANICAL ENGINEERING
Format:	Article
Published:	2020
Subjects:	Computation theory Temperature Time varying systems Tin Anharmonicities Cohesive energies Computational schemes Electrochemical batteries Exchange-correlation functionals Low temperatures Pseudopotentials Relative positions Density functional theory
Online Access:	https://scholarbank.nus.edu.sg/handle/10635/176132
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Institution:	National University of Singapore

id	sg-nus-scholar.10635-176132
record_format	dspace
spelling	sg-nus-scholar.10635-1761322024-04-04T02:33:13Z Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations Legrain, F Manzhos, S MECHANICAL ENGINEERING Computation theory Temperature Time varying systems Tin Anharmonicities Cohesive energies Computational schemes Electrochemical batteries Exchange-correlation functionals Low temperatures Pseudopotentials Relative positions Density functional theory 10.1063/1.4948434 AIP Advances 6 4 45116 2020-09-14T08:14:17Z 2020-09-14T08:14:17Z 2016 Article Legrain, F, Manzhos, S (2016). Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations. AIP Advances 6 (4) : 45116. ScholarBank@NUS Repository. https://doi.org/10.1063/1.4948434 2158-3226 https://scholarbank.nus.edu.sg/handle/10635/176132 Unpaywall 20200831
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
topic	Computation theory Temperature Time varying systems Tin Anharmonicities Cohesive energies Computational schemes Electrochemical batteries Exchange-correlation functionals Low temperatures Pseudopotentials Relative positions Density functional theory
spellingShingle	Computation theory Temperature Time varying systems Tin Anharmonicities Cohesive energies Computational schemes Electrochemical batteries Exchange-correlation functionals Low temperatures Pseudopotentials Relative positions Density functional theory Legrain, F Manzhos, S Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
description	10.1063/1.4948434
author2	MECHANICAL ENGINEERING
author_facet	MECHANICAL ENGINEERING Legrain, F Manzhos, S
format	Article
author	Legrain, F Manzhos, S
author_sort	Legrain, F
title	Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
title_short	Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
title_full	Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
title_fullStr	Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
title_full_unstemmed	Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations
title_sort	understanding the difference in cohesive energies between alpha and beta tin in dft calculations
publishDate	2020
url	https://scholarbank.nus.edu.sg/handle/10635/176132
_version_	1800914418011209728

Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations

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