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In this communication, we present the r-space implementation of the Kohn-Sham realization of the density functional theory with the exact exchange functional within the computational algorithm for computers of parallel architecture. In comparison to the standard approach employing the local density functional, the scheme with exact exchange functional requires roughly ten times larger computational...
We present first-principles calculations of the zero field spin splitting of energy bands in wurtzite materials. Our calculations reveal that the huge electric fields originating from strong piezo- and pyroelecric character of nitrides do not increase the spin splitting of bands in nitride heterostructures. This implicates long spin lifetimes in quantum structures based on these materials and weak...
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