Molecular simulation for thermoelectric properties of c-axis oriented hexagonal GeSbTe model clusters

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Athorn Vora-ud; Meena Rittiruam; Manish Kumar; Jeon Geon Han; Tosawat Seetawan;

Using a combination of molecular orbital and molecular dynamics simulations, electronic and thermoelectric properties of GeSbTe model clusters are presented. The unit cells of Ge13Sb20Te52, Ge7Sb12Te40 and Ge14Sb6Te26 model clusters are designed corresponding to GeSb2Te... View more
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