TY  - JOUR
AU  - Küpers, Michael
AU  - Konze, Philipp M.
AU  - Maintz, Stefan
AU  - Steinberg, Simon
AU  - Mio, Antonio M.
AU  - Cojocaru-Mirédin, Oana
AU  - Zhu, Min
AU  - Müller, Merlin
AU  - Luysberg, Martina
AU  - Mayer, Joachim
AU  - Wuttig, Matthias
AU  - Dronskowski, Richard
TI  - Unexpected Ge-Ge Contacts in the Two-Dimensional Ge 4 Se 3 Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function
JO  - Angewandte Chemie / International edition
VL  - 56
IS  - 34
SN  - 1433-7851
CY  - Weinheim
PB  - Wiley-VCH
M1  - FZJ-2017-06702
SP  - 10204 - 10208
PY  - 2017
AB  - A hexagonal phase in the ternary Ge–Se–Te system with an approximate composition of GeSe0.75Te0.25 has been known since the 1960s but its structure has remained unknown. We have succeeded in growing single crystals by chemical transport as a prerequisite to solve and refine the Ge4Se3Te structure. It consists of layers that are held together by van der Waals type weak chalcogenide–chalcogenide interactions but also display unexpected Ge–Ge contacts, as confirmed by electron microscopy analysis. The nature of the electronic structure of Ge4Se3Te was characterized by chemical bonding analysis, in particular by the newly introduced density of energy (DOE) function. The Ge–Ge bonding interactions serve to hold electrons that would otherwise go into antibonding Ge–Te contacts.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000407173600031
C6  - pmid:28194844
DO  - DOI:10.1002/anie.201612121
UR  - https://juser.fz-juelich.de/record/837941
ER  -