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
• Subproject of: SFB 917: Resistively Switching Chalcogenides for Future Electronics - Structure, Kinetics and Device Scalability: 'Nanoswitches'
• Applicant Institution: Rheinisch-Westfälische Technische Hochschule Aachen
• Project Heads: Professor Dr. Richard Dronskowski; Professorin Dr. Karen Friese