Browsing by Subject "Density functional theory"
Now showing items 1-5 of 5
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DENSITY FUNCTIONAL STUDY OF STRUCTURAL AND ELECTRONIC PROPERTIES OF Ca AND Mg DOPED TiO2
(chuka university, 2022)The scarcity of affordable and environment-friendly sources of energy has led to emergence of photocatalysis to mitigate this problem. This is especially so if the photo catalysts are active in as much a wide region of ... -
DENSITY FUNCTIONAL STUDY OF STRUCTURAL AND ELECTRONIC PROPERTIES OF Ca AND Mg DOPED TIO2
(Chuka University, 2022)The scarcity of affordable and environment-friendly sources of energy has led to emergence of photo catalysis to mitigate this problem. This is so if the photo catalysts are active in solar energy spectrum. Environment-friendly, ... -
Effect of the Y element on the structural, electronic and magnetic properties of Heusler compounds Co2YIn (Y = V, Nb, and Ti): An ab initio study
(AIP Advances, 2021-01-06)We report the effect of varying the Y element on the structural, electronic and magnetic properties of Co2YIn (Y = V, Nb, Ti) Heusler compounds using Density Functional Theory (DFT). The effect of the lattice parameter and ... -
First-Principle investigation of the structural, electronic and magnetic properties of Co2VIn and CoVIn Heusler compounds
(2017-01-05)Investigation of the structural, electronic and magnetic properties of full-Heusler Co2VIn as well as half-Heusler CoVIn Cobalt based Heusler compounds using density functional theory (DFT) leads to the general conclusion ... -
Perpendicular magnetic anisotropy in Mn2VIn (001) films: An ab initio study
(2017-12-07)First principles study of the magnetic anisotropy of Mn2VIn (001) films show perpendicular magnetic anisotropy (PMA), which increases as a function of the thickness of the film. Density functional theory (DFT) as implemented ...