2 papers
cond-mat.mtrl-sci2020
Efficient lattice dynamics calculations for correlated materials with DFT+DMFT
Can P. Koçer, Kristjan Haule, G. Lucian Pascut +1
Phonons are fundamentally important for many materials properties, including thermal and electronic transport, superconductivity, and structural stability. Here, we describe a meth…
cond-mat.mtrl-sci2019
Cation Disorder and Lithium Insertion Mechanism of Wadsley--Roth Crystallographic Shear Phases
Can P. Koçer, Kent J. Griffith, Clare P. Grey +1
Wadsley--Roth crystallographic shear phases form a family of compounds that have attracted attention due to their excellent performance as lithium-ion battery electrodes. The compl…