activity
20112017
most citedFirst-principles study of As interstitials in GaAs: Convergence, relaxation, and formation energy

58 citations · 108 across the 6 of their papers we have counts for

collaborators
Showing 2016Show all

2 papers · 1 filter

cond-mat.mtrl-sci2016★ 13 cited

Enhanced charge ordering transition in doped CaFeO3 through steric templating

Lai Jiang, Diomedes Saldana-Greco, Joseph T. Schick +1

We report density functional theory (DFT) investigation of -site doped CaFeO, a prototypical charge-ordered perovskite. At 290 K, CaFeO undergoes a metal-insulator trans…

cond-mat.mtrl-sci2016★ 13 cited

Classical model of negative thermal expansion in solids with expanding bonds

Joseph T. Schick, Andrew M. Rappe

We study negative thermal expansion (NTE) in model lattices with multiple atoms per cell and first- and second-nearest neighbor interactions using the (anharmonic) Morse potential.…