4 citations · 4 across the 1 of their papers we have counts for
5 papers
Symmetry Relation Database and Its Application to Ferroelectric Materials Discovery
Qiang Zhu, Byungkyun Kang, Kevin Parrish
The ability to understand the atomistic mechanisms that occur in the solid phase transition is of crucial importance in materials research. To investigate the displacive phase tran…
Switchable Atomically Thin 2D Electrides from First-principles Prediction
Xuhui Yang, Kevin Parrish, Yan-Ling Li +3
Electrides, with excess anionic electrons confined in their empty space, are promising for uses in catalysis, nonlinear optics and spin-electronics. However, the application of ele…
PyXtal: a Python Library for Crystal Structure Generation and Symmetry Analysis
Scott Fredericks, Kevin Parrish, Dean Sayre +1
We present PyXtal, a new package based on the Python programming language, used to generate structures with specific symmetry and chemical compositions for both atomic and molecula…
Phonon Confinement and Transport in Ultrathin Films
Bo Fu, Kevin D. Parrish, Hyun-Young Kim +2
Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dime…
Mapping Phonon Modes from Reduced-Dimensional to Bulk Systems
Hyun-Young Kim, Kevin D. Parish, Alan J. H. McGaughey
An algorithm for mapping the true phonon modes of a film, which are defined by a two-dimensional (2D) Brillouin zone, to the modes of the corresponding bulk material, which are def…