COMPUTATIONAL STUDIES ON PHONON ENGINEERING OF TRANSITION METAL COMPOUNDS AND ITS INFORMATICS
Abstract
The phonon means the quantum nature of lattice vibrations occurring in solids, being critically dominating thermoelectric, piezoelectric, photoelectric, and catalytic properties as well as the superconductivities. Successful developments over around thirty years in fabricating high-quality samples of two-dimensional transition metal compounds open a way for the Phonon Engineering , where we can control the above properties for the desired range by tuning compositions of the compounds with enhanced electron-phonon couplings by the lowered dimensionality. The present proposal treats such cutting-edge of ab initio phonon estimations applied to the phonon engineering of 2-dim. transition metal compounds, such as chalcogenides or pnictides to obtain comprehensive knowledge about phonon dispersions and those lattice instabilities. The achievements are summarized to form a regression model in the informatics manner, developed by our group.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Sep 11, 2017
- Source ID
- FA23861714049
Entities
People
- Ryo Maezono
Organizations
- Air Force Office of Scientific Research
- Japan Advanced Institute of Science and Technology
- United States Air Force