First-Principles Thermodynamics of Al${}_{10}$V: An Analytical Treatment of Localized Anharmonic Modes

Hassan Y. Albuhairan, Marek Mihalkovič, Michael Widom

Many complex intermetallic structures possess cage-like environments that can host additional guest atoms. In Al${}_{10}$V, these atoms give rise to low-frequency, localized vibratio…