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Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb
(Elsevier B. V., 2011-01)
An ab initio study of the band structure, density of states, topology of the electron density and the spectral features of the linear and non-linear optical properties of the Ga2AsSb chalcopyrite are presented. The lattice ...
First principles study of the structural, elastic and electronic properties of Ti2InC and Ti2InN
(World Scientific Publishing Company, 2011-04-20)
The structural, elastic and electronic properties of Ti2InC and Ti2InN compounds have been calculated using the full-potential linear muffin-tin orbital (FP-LMTO) method. The exchange and correlation potential is treated ...