TY - JOUR
T1 - Ab initio investigation of amorphous Sb2Te
AU - Zhang, Wei
AU - Ronneberger, Ider
AU - Li, Yan
AU - Mazzarello, Riccardo
PY - 2014/1
Y1 - 2014/1
N2 - Chalcogenide phase-change alloys are an important class of materials for applications in data storage. In this work, we investigate the structural properties of the amorphous phase of the phase-change material Sb2Te. We show that all the atoms in Sb2Te are in a defective octahedral environment, that the majority of primitive rings are five- and four-membered, and that the voids are small and amount to about 2 % of the total volume of the system. Graphical Abstract: [Figure not available: see fulltext.]
AB - Chalcogenide phase-change alloys are an important class of materials for applications in data storage. In this work, we investigate the structural properties of the amorphous phase of the phase-change material Sb2Te. We show that all the atoms in Sb2Te are in a defective octahedral environment, that the majority of primitive rings are five- and four-membered, and that the voids are small and amount to about 2 % of the total volume of the system. Graphical Abstract: [Figure not available: see fulltext.]
KW - Ab initio calculations
KW - Chalcogenides
KW - Kinetics
KW - Molecular dynamics
KW - Phase transformations
KW - Phase-change materials
UR - https://www.scopus.com/pages/publications/84895908315
U2 - 10.1007/s00706-013-0980-0
DO - 10.1007/s00706-013-0980-0
M3 - 文章
AN - SCOPUS:84895908315
SN - 0026-9247
VL - 145
SP - 97
EP - 101
JO - Monatshefte fur Chemie
JF - Monatshefte fur Chemie
IS - 1
ER -