129 citations · 367 across the 14 of their papers we have counts for
7 papers · 1 filter
3/8 charge-density wave instability in the kagome metal CsVSb
Luca Buiarelli, Hyeonseo H. Park, Ethan T. Ritz +2
The kagome metal CsVSb exhibits charge density wave (CDW) and superconducting transitions, both of which are substantially affected by pressure. Recent x-ray diffraction ex…
Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions
Ethan T. Ritz, Guru Khalsa, Hsin-Yu Ko +3
We present a technique for partitioning the total energy from a semi-local density functional theory calculation into contributions from individual electronic states in a localized…
Impact of Sb degrees of freedom on the charge density wave phase diagram of the kagome metal CsVSb
Ethan T. Ritz, Rafael M. Fernandes, Turan Birol
Elucidating the microscopic mechanisms responsible for the charge density wave (CDW) instability of the AVSb (A=Cs, K, Rb) family of kagome metals is critical for understan…
Understanding mechanisms of thermal expansion in PbTiO thin-films from first principles: role of high-order phonon-strain anharmonicity
Ethan T. Ritz, Nicole A. Benedek
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 rec…
Strain game revisited for complex oxide thin-films: Substrate-film thermal expansion mismatch in PbTiO
Ethan T. Ritz, Nicole A. Benedek
The sensitivity of materials properties, particularly those of perovskite oxides, to epitaxial strain has been exploited to great advantage to create materials with new or enhanced…
Thermal Expansion in Insulating Solids From First Principles
Ethan T. Ritz, Sabrina J. Li, Nicole A. Benedek
In this Tutorial, we describe the use of the quasiharmonic approximation and first-principles density functional theory (DFT) to calculate and analyze the thermal expansion of insu…