The effect of a finite source size and energy spread (i.e. partial spatial and temporal coherence) was included in the Quasi-coherent approximation where envelopes are applied to the wave function [34].
This chapter presents a unified physical picture of wide band-gap II VI and III V DMS such as ZnO, ZnS, ZnSe, ZnTe, and GaN on the basis of the state-of-the-art ab initio electronic structure calculation done by using the Korringa Kohn Rostoker coherent potential approximation and local density approximation (KKR CPA LDA) and the self-interaction corrected LDA (SIC-LDA) to go beyond the LDA.
Effective exchange interactions (Jij) between magnetic ions in CuAlO2-based dilute magnetic semiconductors (DMS) are investigated by the Korringa Kohn Rostoker method combined with the coherent potential approximation within the local density approximation.
The electronic structures and the magnetic properties of CuAlO2-based DMSs are calculated by using the Korringa Kohn Rostoker method combined with the coherent potential approximation within the local density approximation.
Based on ab initio electronic structure calculations by self-interaction-corrected local-density-approximation (SIC-LDA) with the Korringa Kohn Rostoker coherent potential approximation (KKR-CPA), we propose a materials design for high efficiency photovoltaic solar cells (PVSCs).
The electronic structure of DMS is calculated by using the Korringa Kohn Rostoker coherent potential approximation (KKR-CPA) method in connection with the local density approximation (LDA).
The substitutional disorder is modeled using the special quasi-random structures technique and the coherent potential approximation.
By using the Korringa Kohn Rostoker coherent potential approximation, electronic structures of Mn-doped LiZnAs, LiZnP and LiZnN are calculated.
Here we use the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation to study the equilibrium bulk properties of the above refractory HEAs.
The electronic structures of 3d-transition-metal-atom-doped GaN and Mn-doped InAs InSb InAs, InSb, GaN, GaP, GaAs, GaSb, AlN, AlP, AlAs and AlSb were calculated by the Korringa Kohn Rostoker method combined with the coherent potential approximation.
We propose materials design of high-TC wide band-gap dilute magnetic semiconductors (DMSs) based on first-principles calculations by using the Korringa Kohn Rostoker coherent potential approximation (KKR-CPA) method.
