TY  - JOUR
AU  - Akola, J.
AU  - Jones, R. O.
TI  - Binary alloys of Ge and Te: order, voids, and the eutectic composition
JO  - Physical review letters
VL  - 100
SN  - 0031-9007
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-62273
SP  - 205502
PY  - 2008
N1  - Record converted from VDB: 12.11.2012
AB  - The liquid and amorphous structures of Ge0.15Te0.85 and GeTe alloys are characterized using combined density functional/molecular dynamics simulations. Te is threefold coordinated, in contrast with predictions of the "8-N rule," and Ge atoms (fourfold coordinated) show octahedral and tetrahedral bonding angles. Cubic local environment occurs in both materials, and GeTe shows a pronounced alternation of atomic types. Tetrahedral Ge coordination is more common in the eutectic Ge0.15Te0.85, which comprises corner- and edge-sharing GeTe4 units surrounded by Te. There is no Te segregation, and the material resembles neither GeTe nor Te. The ubiquitous cavities (voids) have been overlooked in Ge0.15Te0.85, where they comprise over 25% of the volume.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000256206400045
DO  - DOI:10.1103/PhysRevLett.100.205502
UR  - https://juser.fz-juelich.de/record/62273
ER  -