458 citations · 1.7k across the 11 of their papers we have counts for
Showing 2008 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2008★ 156 cited
Ab initio calculations of the atomic and electronic structure of CaTiO3 (001) and (011) surfaces
R. I. Eglitis, David Vanderbilt
We present the results of calculations of surface relaxations, energetics, and bonding properties for CaTiO3 (001) and (011) surfaces using a hybrid B3PW description of exchange an…
cond-mat.mtrl-sci2008★ 48 cited
Structural stability and lattice dynamics of SiO2 cristobalite
Sinisa Coh, David Vanderbilt
Among the phases of SiO2 are alpha and beta cristobalites, which have a long and somewhat controversial history of proposed structural assignments and phase-transition mechanisms.…