Phạm Ngọc Sơn

First-Principles Phonon Density of States of Graphite for Thermal Neutron Scattering Applications

Abstract This study presents first-principles calculations of the phonon density of states (PhDOS) of graphite using density functional theory (DFT) within the local density approximation (LDA), as implemented in the Quantum ESPRESSO package. The calculated phonon spectrum exhibi...