Kavli Affiliate: Nicole A. Benedek | First 5 Authors: Ethan T. Ritz, Nicole A. Benedek, , , | Summary: The thermal properties of materials are critically important to various technologies and are increasingly the target of materials design efforts. However, it is only relatively recent advances in first-principles computational techniques that have enabled researchers to […]
Continue.. Understanding mechanisms of thermal expansion in PbTiO$_3$ thin-films from first principles: role of high-order phonon-strain anharmonicity