First principles calculation of the elastic constants and phonon modes of UO2 using GGA+U with orbital occupancy control
Author:
Publisher
Elsevier BV
Subject
Nuclear Energy and Engineering,General Materials Science,Nuclear and High Energy Physics
Reference64 articles.
1. Thermophysical properties of uranium dioxide
2. Modeling and simulation of nuclear fuel materials
3. DFT+Ucalculations of the ground state and metastable states of uranium dioxide
4. Stability of oxygen point defects inUO2by first-principlesDFT+Ucalculations: Occupation matrix control and Jahn-Teller distortion
5. Effect of Mott-Hubbard correlations on the electronic structure and structural stability of uranium dioxide
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