Browsing Master of Science in Physics by Subject "Density Functional Theory"
Now showing items 1-2 of 2
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AB INITIO CALCULATIONS OF ELECTRONIC, ELASTIC AND SUPERCONDUCTIVITY PROPERTIES OF HEXAGONAL ANTIPEROVSKITE- TYPE CARBIDES XCCr3 (X=Al, Ga or Zn) MATERIALS
(Kabarak University, 2024-11)The positions of the anions and cations are switched in antiperovskites material, which are inorganic compounds with a perovskite-like structure. The family of antiperovskites materials includes insulators, superconductors ... -
COMPUTATION OF THE PROPERTIES OF ORGANIC-INORGANIC TIN HALIDE PEROVSKITE FOR PHOTOVOLTAIC APPLICATION; FIRST PRINCIPLES APPROACH
(2022-11)The energy demand in today’s society is ever increasing because of the continuous increase in population. Solar energy that uses solar cells which converts solar radiation to electrical energy is of great importance. ...
