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

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

10.1063/1.4948434

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Bibliographic Details
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

Internet

https://scholarbank.nus.edu.sg/handle/10635/176132

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