Analysis on the energetics, magnetism and electronic properties in a 45° ZnO grain boundary doped with Gd-Reference-Cited by-同舟云学术

Analysis on the energetics, magnetism and electronic properties in a 45° ZnO grain boundary doped with Gd

Published:2018 Issue:25 Volume:8 Page:13850-13856
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Sasikala Devi Assa Aravindh¹²³^ORCID,Roqan Iman S.¹²³^ORCID

Affiliation:

1. King Abdullah University of Science and Technology

2. Physical Science and Engineering (PSE) Division

3. Saudi Arabia

Abstract

The structural stability and magnetic properties of a grain boundary (GB) formed by two ZnO single crystals oriented at 45° is investigated by density functional theory, using generalized gradient approximation (GGA) with Hubbard parameter (U).

Funder

King Abdulaziz City for Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C8RA00985F

Reference40 articles.

1. Recent developments in rare-earth doped materials for optoelectronics

2. Defect-impurity complex induced long-range ferromagnetism in GaN nanowires

3. The origin of room temperature ferromagnetism mediated by Co–VZn complexes in the ZnO grain boundary

4. Structural and electronic properties of Eu- and Pd-doped ZnO

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