Journal article
Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response
ACS photonics, v 1(2)
01 Feb 2014
Abstract
Group theory and ab initio electronic structure calculations are combined to formulate a general protocol called "SAFOR" to understand and predict how to improve the second harmonic generation (SHG) response in acentric nonlinear optical crystals. Using the prototypical SHG borate beta-BaB2O4, we show how the SHG d-tensor can be formulated from mode effective d(ij) coefficients obtained as a linear combination of symmetry-adapted displacement patterns that transform as irreducible representations of a centrosymmetric parent structure. Since this protocol does not require any constraints on the crystal topology or anionic moieties in the structure, we suggest it constitutes a powerful tool to understand and design new SHG compounds through atomic-structure governing principles.
Metrics
Details
- Title
- Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response
- Creators
- Antonio Cammarata - Drexel UniversityJames M. Rondinelli - Drexel University
- Publication Details
- ACS photonics, v 1(2)
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 5
- Grant note
- N00014-11-1-0664 / ONR; Office of Naval Research 52138-DNI10 / American Chemical Society Petroleum Research Fund; American Chemical Society DE-AC02-06CH11357 / U.S. DOE, Office of Science, Office of Basic Energy Sciences; United States Department of Energy (DOE)
- Resource Type
- Journal article
- Language
- English
- Web of Science ID
- WOS:000335802800003
- Scopus ID
- 2-s2.0-84902451615
- Other Identifier
- 991019330795404721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Optics
- Physics, Applied
- Physics, Condensed Matter