no code implementations • 15 Dec 2020 • Đorđe Dangić, Olle Hellman, Stephen Fahy, Ivana Savić
However, the $\kappa$ of GeTe increases at the ferroelectric phase transition near $700$ K. Using first-principles calculations with the temperature dependent effective potential method, we show that this rise in $\kappa$ is the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase.
Materials Science
