Perturbative second-order optical susceptibility of bulk materials: a symmetry-enforced return to non-orthogonal localized basis sets

Angiolo Huamán; Luis Enrique Rosas-Hernandez; Salvador Barraza-Lopez

doi:10.1088/1361-648X/ae35fa

Paper

Atlas literature

Research paper

Computational DFTTheoretical

Perturbative second-order optical susceptibility of bulk materials: a symmetry-enforced return to non-orthogonal localized basis sets

Angiolo Huamán, Luis Enrique Rosas-Hernandez, Salvador Barraza-Lopez

arXiv·2025·10.1088/1361-648X/ae35fa·arXiv:2512.12079

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Bulk cubic silicon carbide used as the benchmark system for χ(2) calculations and linear response convergence tests.

2 properties

Simulated Supercell DftSiCStudied Material

Bulk gallium arsenide used as the validation system for χ(2) calculations and scissor-corrected band-gap comparison.

3 properties

Simulated Supercell DftGaAsStudied Material

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