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Materials Data on Ge2Sb2Te5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1722291· OSTI ID:1722291
Ge2Sb2Te5 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ge2Sb2Te5 sheet oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with nine equivalent GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are three shorter (3.00 Å) and three longer (3.04 Å) Ge–Te bond lengths. Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (3.01 Å) and three longer (3.20 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Ge4+ atoms to form TeGe6 octahedra that share corners with six equivalent TeGe3Sb3 octahedra and edges with twelve TeGe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent Sb1+ atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Sb1+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1722291
Report Number(s):
mp-1224375
Country of Publication:
United States
Language:
English

References (2)

The phase-change kinetics of amorphous Ge2Sb2Te5 and device characteristics investigated by thin-film mechanics journal August 2015
Electrical, optical, and thermal properties of Sn-doped phase change material Ge2Sb2Te5 journal August 2012

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