Internal ID
113-2113-M-002-017-MY3
Principal Investigator
Start Date
August 1, 2024
End Date
July 31, 2025
Organizations
Partner Organizations
探索週期性分子相關材料和層狀系統的晶格動力學與電子和振動結構之間的關係：理論/第一原理模擬研究
Keywords
Adiabatic approximation
quasi-harmonic Helmholtz free energy
first principles simulations
anharmonicity in periodic systems
temperature dependence of vibrational and electronic spectral features