Time dependent DFT investigation of the optical response in pristine and Gd doped Al2O3-Reference-Cited by-同舟云学术

Time dependent DFT investigation of the optical response in pristine and Gd doped Al2O3

Published:2016 Issue:76 Volume:6 Page:72537-72543
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kumavat Sandip¹²³⁴,Chakraborty Sudip⁵⁶⁷⁸⁹,Rahane Amol B.¹²³⁴,Deshpande Mrinalini D.¹²³⁴,Ahuja Rajeev⁵⁶⁷⁸⁹

Affiliation:

1. Department of Physics

2. H.P.T. Arts and R.Y.K. Science College

3. Nasik

4. India

5. Condensed Matter Theory Group

6. Department of Physics and Astronomy

7. Uppsala University

8. S-75120 Uppsala

9. Sweden

Abstract

The optical absorption spectra and static polarizabilities for the lowest energy configurations of Al₂O₃ and Gd doped (Al₂O₃)_n clusters (n = 1–10) are investigated based on the time-dependent density functional theory (TDDFT) formalism.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA15809A

Reference41 articles.

1. Ab initiostudy of the physical properties ofγ-Al2O3: Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra

2. Effect of Rare-Earth Dopants on Mechanical Properties of Alumina

3. Synthesis of Nd-YAG material by citrate-nitrate sol-gel combustion route

4. Effects of Gd3+ Substitution on the Fabrication of Transparent (Y1−xGdx)3Al5O12 Ceramics

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