Investigation of the on-site Coulomb correction and temperature dependence of the stability of U–Si phases using DFT+U
Journal Article
·
· Journal of Nuclear Materials
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1691657
- Journal Information:
- Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Vol. 524 Journal Issue: C; ISSN 0022-3115
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- Netherlands
- Language:
- English
Similar Records
Comprehensive Phase Diagrams of MoS2 Edge Sites Using Dispersion-Corrected DFT Free Energy Calculations
Stability of U5Si4 phase in U-Si system: Crystal structure prediction and phonon properties using first-principles calculations
Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study
Journal Article
·
2018
· Journal of Physical Chemistry. C
·
OSTI ID:1539257
Stability of U5Si4 phase in U-Si system: Crystal structure prediction and phonon properties using first-principles calculations
Journal Article
·
2018
· Journal of Nuclear Materials
·
OSTI ID:1693651
+2 more
Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study
Journal Article
·
2015
· Journal of Solid State Chemistry
·
OSTI ID:22475633
+4 more