First Principle Study of Rock Salt, Cesium Chloride and Zincblende for EuTe Compound
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Date
2011-05-04
Authors
Rowaida Dwaikat
Mohammed Abu-Jafar
Abdel Rahman Abu-Lebdeh
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Abstract
<p>We present first-principle calculations of the structural and electronic properties of rock salt, cesium chloride andzincblende of EuTe compound. The computational method is based on the full potential linearized augmented planewave method (FP-LAPW). The exchange and correlation energy is described in the generalized gradientapproximation (GGA) and the local density approximation (LDA). We have investigated the lattice parameter, bulkmodulus, pressure derivative, band gap and the transition pressure for EuTe . The results obtained are in goodagreement with theoretical and experimental values.</p>
<p>We present first-principle calculations of the structural and electronic properties of rock salt, cesium chloride andzincblende of EuTe compound. The computational method is based on the full potential linearized augmented planewave method (FP-LAPW). The exchange and correlation energy is described in the generalized gradientapproximation (GGA) and the local density approximation (LDA). We have investigated the lattice parameter, bulkmodulus, pressure derivative, band gap and the transition pressure for EuTe . The results obtained are in goodagreement with theoretical and experimental values.</p>
<p>We present first-principle calculations of the structural and electronic properties of rock salt, cesium chloride andzincblende of EuTe compound. The computational method is based on the full potential linearized augmented planewave method (FP-LAPW). The exchange and correlation energy is described in the generalized gradientapproximation (GGA) and the local density approximation (LDA). We have investigated the lattice parameter, bulkmodulus, pressure derivative, band gap and the transition pressure for EuTe . The results obtained are in goodagreement with theoretical and experimental values.</p>