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Effect of dopants on the structure and properties of Ge2Sb2Te5 studied by Ab initio calculations by Jian Zhou; Zhimei Sun; Lihua Xu; Rajeev Ahuja is a Physics and Astronomy article available to read on EtoBox.

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Ge 2 Sb 2 Te 5 is technologically important for phase-change random access memory applications. In this work, the effect of doping Ag, Cd, In and Sn on the structure and chemical bonding of Ge 2 Sb 2 Te 5 has been studied by ab initio calculations. It has been shown that the 3.7 at.% dopants drastically weaken the Te-Te bond strength in the -Te-(vacancy)-Te-configuration while maintaining its rocksalt symmetry. According to the analysis of formation energy, doping at the Ge site of Ge 2 Sb 2 Te 5 phase is more favourable. The doped Ge 2 Sb 2 Te 5 phases demonstrate either semiconductor or metallic behavior, which is attributed to the valence electrons of the dopants that mainly contribute to either the conductivity or chemical bonding.

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Author

Jian Zhou; Zhimei Sun; Lihua Xu; Rajeev Ahuja

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0038-1098)

Published

2008

Language

EN

Field

Physics and Astronomy (Physical Sciences)