Browsing Institute of Nano Electronic Engineering (INEE) (Articles) by Subject "DFT"
Now showing items 1-2 of 2
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First-principles calculations of the structural, electronic and optical properties of cubic BxGa1−xAs alloys
(Elsevier B.V., 2012-04-15)Density functional calculations are performed to study the structural, electronic and optical properties of technologically important BxGa1−xAs ternary alloys. The calculations are based on the total-energy calculations ... -
Structural and electronic properties of zinc blende B xAl 1-xN yP 1-y quaternary alloys via rst-principle calculations
(Elsevier B.V., 2012-02-01)The structural and electronic properties of cubic zinc blende BN, BP, AlN and AlP compounds and their B xAl 1-xN yP 1-y quaternary alloys, have been calculated using the non relativistic full-potential linearized-augmented ...