Inorganic Chemistry Frontiers · 2022 · 30 citations · 50 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsOptical MaterialsSolid State PhysicsCrystalline MaterialsInfrared Optical MaterialsNonlinear Optical MaterialsNonlinear OpticsOptical Properties Of MaterialsOptical Properties Of SolidsBand GapElectronic Band GapInfrared Nonlinear Optical MaterialsInfrared Optical CrystalsInorganic Nonlinear Optical MaterialsNonlinear Optical CrystalsPhase Matching
Two new polymorphism of BaGa 4 S 7 was successfully discovered and synthesized. Among them, β-BaGa 4 S 7 exhibits the best balance among a large phase-matching SHG response and a wide band gap, as well as the stable physicochemical property.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17