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physics.comp-ph2013
Multiscale modeling of solar cells with interface phenomena
David H. Foster, Timothy Costa, Malgorzata Peszynska +1
We describe a mathematical model for heterojunctions in semiconductors which can be used, e.g., for modeling higher efficiency solar cells. The continuum model involves well-known…
cond-mat.mtrl-sci2013★ 51 cited
Shell Model of BaTiO3 Derived from Ab-initio Total Energy Calculations
Jason M Vielma, Guenter Schneider
A shell model for ferroelectric perovskites fitted to results of first-principles density functional theory (DFT) calculations is strongly affected by approximations made in the ex…