Ground-State and Thermodynamical Properties of Uranium Mononitride from Anharmonic First-Principles Theory

Ground-State and Thermodynamical Properties of Uranium Mononitride from Anharmonic First-Principles Theory

We report on an advanced density-functional theory (DFT) approach for investigating the ground-state and thermodynamical properties of uranium mononitride (UN). The electronic structure for UN at zero temperature is obtained from DFT that utilizes the generalized gradient approximation (GGA) for the...

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Bibliographic Details
Main Authors: Per Söderlind, Alexander Landa, Aurélien Perron, Babak Sadigh, Tae Wook Heo
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:Applied Sciences
Subjects:
density-functional theory
anharmonicity
thermodynamical properties
actinides
uranium mononitride
Online Access:https://www.mdpi.com/2076-3417/9/18/3914

Internet

https://www.mdpi.com/2076-3417/9/18/3914

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