220 citations · 2.6k across the 90 of their papers we have counts for
5 papers · 1 filter
`Ferroelectric' Metals Reexamined: Fundamental Mechanisms and Design Considerations for New Materials
Nicole A. Benedek, Turan Birol
The recent observation of a ferroelectric-like structural transition in metallic LiOsO has generated a flurry of interest in the properties of polar metals. Such materials are…
Magnetically induced phonon splitting in ACrO spinels from first principles
Aleksander L. Wysocki, Turan Birol
We study the magnetically-induced phonon splitting in cubic ACrO (A=Mg, Zn, Cd, Hg) spinels from first principles, and demonstrate that the sign of the splitting, which is…
Structural and magnetic phase transitions in CaLaFeAs with electron overdoped FeAs layers
Shan Jiang, Chang Liu, Huibo Cao +15
We report a study of the CaLaFeAs single crystals. We unravel a monoclinic to triclinic phase transition at 58 K, and a paramagnetic to stripe antiferromagnet…
Guided design of copper oxysulfide superconductors
Chuck-Hou Yee, Turan Birol, Gabriel Kotliar
We describe a framework for designing novel materials, combining modern first-principles electronic structure tools, materials databases, and evolutionary algorithms capable of exp…
Free energy from stationary implementation of the DFT+DMFT functional
Kristjan Haule, Turan Birol
The stationary functional of the all-electron density functional plus dynamical mean field theory (DFT+DMFT) formalism to perform free energy calculations and structural relaxation…