An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

We report a study on the static and dynamic properties of several liquid 5d transition metals at thermodynamic conditions near their respective melting points. This is performed by resorting to ab initio molecular dynamics simulations in the framework of the density functional theory. Results are pr...

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Bibliographic Details
Main Authors: D. J. González, L. E. González
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2023-07-01
Series:Condensed Matter Physics
Subjects:
liquid metals
transition metals
first principles calculations
Online Access:https://doi.org/10.5488/CMP.26.33601

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