Density Functional Theory Calculations for Band Gap and Formation Energy of Pr 4-x Ca x Si 12 O 3+x N 18-x ; a Highly Disordered Compound with Low Symmetry and a Large Cell Size
Hong, Sung Un, Singh, Satendra Pal, Pyo, Myoungho, Park, Woon Bae, Sohn, Kee-SunYear:
2017
Language:
english
Journal:
Phys. Chem. Chem. Phys.
DOI:
10.1039/C7CP03247A
File:
PDF, 2.60 MB
english, 2017