DFT-based ab initio study of dielectric and optical properties of bulk Li2B3O4F3 and Li2B6O9F2
Author:
Publisher
Elsevier BV
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Reference42 articles.
1. LiB6O9F, the First Lithium Fluorooxoborate - Crystal Structure and Ionic Conductivity
2. DFT-basedab initiostudy of structural and electronic properties of lithium fluorooxoborate LiB6O9F and experimentally observed second harmonic generation
3. Calculation of the dielectric constant ϵ and first nonlinear susceptibility χ(2) of crystalline potassium dihydrogen phosphate by the coupled perturbed Hartree–Fock and coupled perturbed Kohn–Sham schemes as implemented in theCRYSTALcode
4. Li2B6O9F2, a New Acentric Fluorooxoborate
5. Li2B3O4F3, a new lithium-rich fluorooxoborate
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