Role of spin–orbit interaction on the nonlinear optical response of CsPbCO3F using DFT-Reference-Cited by-同舟云学术

Role of spin–orbit interaction on the nonlinear optical response of CsPbCO3F using DFT

Published:2017 Issue:46 Volume:19 Page:31255-31266
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Narsimha Rao E.¹²³⁴,Vaitheeswaran G.¹²³⁴^ORCID,Reshak Ali H.⁵⁶⁷⁸^ORCID,Auluck S.⁹¹⁰⁴

Affiliation:

1. Advanced Center of Research in High Energy Materials (ACRHEM)

2. University of Hyderabad

3. Hyderabad-500 046

4. India

5. New Technologies-Research Center

6. University of West Bohemia

7. 30614 Pilsen

8. Czech Republic

9. Council of Scientific and Industrial Research – National Physical Laboratory

10. New Delhi 110012

Abstract

We explore the effect of spin–orbit interaction (SOI) on the electronic and optical properties of CsPbCO₃F using the full potential linear augmented plane wave method with the density functional theory (DFT) approach.

Funder

Department of Science and Technology, Ministry of Science and Technology

Defence Research and Development Organisation

European Regional Development Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05750D

Reference61 articles.

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