Journal of Materials Chemistry C · 2020 · 63 citations · 59 references
Electrical EngineeringGreat EnhancementEngineeringPhysicsApplied PhysicsQuantum MaterialsCondensed Matter PhysicsDefect FormationVacancy DefectsHarmonic Mitigation
Great enhancement of the second harmonic generation response is achieved in AgHgPS<sub>4</sub>by introducing vacancy defects and highly distorted HgS<sub>4</sub>tetrahedra using AgGaS<sub>2</sub>as the template.
59
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text