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cond-mat.mtrl-sci2010★ 29 cited
Nonlinear optical properties of TeO crystalline phases from first principles
Nabil Berkaine, Emmanuelle Orhan, Olivier Masson +2
We have computed second and third nonlinear optical susceptibilities of two crystalline bulk tellurium oxide polymorphs: -TeO (the most stable crystalline bulk phase) and…
cond-mat.mtrl-sci2010★ 32 cited
First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO3/BaO superlattices
Eric Bousquet, Javier Junquera, Philippe Ghosez
We report a first-principles study of (BaTiO)/(BaO) superlattices for a wide range of periodicities . We show that such a system develops a polar zone-center ins…