Modeling InSe phase-change materials

The amorphous structure of ln(x)Se(y) has been studied by a first principles tight-binding molecular dynamics technique using the program package PLATO (Package for Linear-combination of Atomic Type Orbitals). The three-dimensional amorphous structures with different densities were prepared by quick...

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Príomhchruthaitheoirí: Kohary, K, Burlakov, V, Nguyen-Manh, D, Pettifor, D
Formáid: Conference item
Foilsithe / Cruthaithe: 2004
Cur síos
Achoimre:The amorphous structure of ln(x)Se(y) has been studied by a first principles tight-binding molecular dynamics technique using the program package PLATO (Package for Linear-combination of Atomic Type Orbitals). The three-dimensional amorphous structures with different densities were prepared by quick quenching from the liquid phase. The characteristics of short-range order such as coordination numbers, radial and bond angle distributions, and ring statistics have been analyzed.