Open AccessNonlinear optical properties of tellurium oxide nanoclusters
Author(s) -
E. M. Roginskiĭ,
M. B. Smirnov,
Olivier Noguera,
Olivier Masson,
Philippe Thomas
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1461/1/012137
Subject(s) - nanoclusters , nonlinear system , cluster (spacecraft) , ab initio , materials science , polyatomic ion , field (mathematics) , density functional theory , oxide , computational chemistry , chemical physics , molecular physics , molecule , nanotechnology , computer science , chemistry , physics , mathematics , quantum mechanics , pure mathematics , metallurgy , programming language
The finite field method using ab initio hybrid functional approach was applied to estimate nonlinear properties of the cluster based on paratellurite crystal structure. The good agreement was found with previously reported data.The method demonstrate high efficiency in prediction of nonlinear properties for a wide ensemble of sufficiently large polyatomic clusters.