High-temperature, high-pressure properties of chalcogenides and low-valent transition-metal oxides
(A05)
Subject Area
Theoretical Chemistry: Molecules, Materials, Surfaces
Term
from 2011 to 2023
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 167917811
Project A5 will investigate the relationship between crystal structure, electronic configuration and lattice dynamical properties using closely interwoven experimental and theoretical methodologies. Two new candidate systems for phase change materials (InxSey and GexSi1–xTe) will be explored using in situ stud-ies at high temperature and/or high pressure to gain insight into the microscopic phenomena. The theo-retical bond-projected force constants methodology will be further developed as a new coordinate in the phase-change material treasure map. The investigations will be expanded towards the study of a Mott system (VxOy), which can be considered as a bridge between PCM and VCM materials.
DFG Programme
Collaborative Research Centres
