Bu çalışmanın amacı teknolojide büyük öneme sahip 1x1x1 süper-hücre kullanılarak III-V grubu GaAs, InAs, GaN, InN ve GaBi ikili bileşiklerinin, GaInAs, GaAsN ve GaAsBi üçlü ve GaInAsN dörtlü alaşımlarının fiziksel ...

The optoelectronic and magnetic properties of pure HoMnO3 and Ho0.67T0.33MnO3 (T = La, Y) alloys in hexagonal phase are theoretically investigated by using the first-principles calculations. The investigations are performed ...

We present results of ab initio theoretical investigations of the structural, elastic, and electronic properties of the cubic inverse perovskite Sc3AlN by employing the plane-wave pseudopotential method within the generalized ...

We have investigated optical properties which are very important for optoelectronic devices, such as laser modulators, photo detectors, optical amplifier and high efficient solar cells of BN and BBi using the density ...

We have performed first-principles method to investigate structural and electronic properties of InNxP1-x ternary semiconductor alloy in full range (0 <= x <= 1) using density functional theory. We have used modified ...

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The physical properties of Boron - group V compounds have been investigated systematically by using density functional theory, based on the full-potential linearized augmented plane-wave method. Generalized gradient ...

We have determined structural, electronic and optical properties of BBi1-xSbx alloy by using density functional theory based on the full potential linearized augmented plane wave method. For the exchange correlation ...