2006
DOI: 10.1103/physrevb.73.045112 View full text |Buy / Rent full text
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Abstract: In this work we derive closed expressions for the head of the frequency-dependent microscopic polarizability matrix in the projector-augmented wave ͑PAW͒ methodology. Contrary to previous applications, the longitudinal expression is utilized, resulting in dielectric properties that are largely independent of the applied potentials. The improved accuracy of the present approach is demonstrated by comparing the longitudinal and transversal expressions of the polarizability matrix for a number of cubic semiconduc… Show more

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