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Title: The Electronic and Magnetic Properties of Tetragonal Ultrathin BaTiO{sub 3} Nanotube

Abstract

The unique structural, electronic and magnetic properties of intrinsic defect in tetragonal ultrathin BaTiO{sub 3} nanotube (u-BTONT) have been investigated by first-principle calculations. The zigzag (9,0) u-BTONTs with two different terminations (TiO{sub 2} and BaO) can be formed by rolling up one monolayer BTO along a certain crystallographic axis, and the BaO-terminated NT is more stable than TiO{sub 2} terminated due to its lower binding energy. The oxygen vacancies on the tube are more stable than cation vacancies, and their magnetic coupling is related not only to the kinds of oxygen vacancies but also to the distance of vacancies. Moreover, both Ba and Ti vacancies also can introduce the ferromagnetism in u-BTONT, which is different from the origin of magnetism in BTO bulk and (001) surface. It is indicated that one-dimensional structure with high surface area can make it easier to form more useful vacancies which prefer ferromagnetism. Our work offers a possible route to fabricate the multiferroic materials.

Authors:
; ; ;  [1];  [2]
  1. Taiyuan University of Technology, Key Lab. of Advanced Transducers and Intelligent Control System, Ministry of Education, College of Physics and Optoelectronics (China)
  2. Shandong University, School of Physics, State Key Lab. for Crystal Materials (China)
Publication Date:
OSTI Identifier:
22773872
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 8; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BARIUM OXIDES; BINDING ENERGY; CATIONS; CRYSTALLOGRAPHY; FERROMAGNETISM; MAGNETIC PROPERTIES; NANOTUBES; OXYGEN; SURFACE AREA; SURFACES; TETRAGONAL LATTICES; THIN FILMS; TITANATES; TITANIUM OXIDES; VACANCIES

Citation Formats

Jia, Huaping, Zhang, Yongjia, Ma, Ninggui, Cao, Ensi, and Hu, Jifan. The Electronic and Magnetic Properties of Tetragonal Ultrathin BaTiO{sub 3} Nanotube. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4527-1.
Jia, Huaping, Zhang, Yongjia, Ma, Ninggui, Cao, Ensi, & Hu, Jifan. The Electronic and Magnetic Properties of Tetragonal Ultrathin BaTiO{sub 3} Nanotube. United States. doi:10.1007/S10948-017-4527-1.
Jia, Huaping, Zhang, Yongjia, Ma, Ninggui, Cao, Ensi, and Hu, Jifan. Wed . "The Electronic and Magnetic Properties of Tetragonal Ultrathin BaTiO{sub 3} Nanotube". United States. doi:10.1007/S10948-017-4527-1.
@article{osti_22773872,
title = {The Electronic and Magnetic Properties of Tetragonal Ultrathin BaTiO{sub 3} Nanotube},
author = {Jia, Huaping and Zhang, Yongjia and Ma, Ninggui and Cao, Ensi and Hu, Jifan},
abstractNote = {The unique structural, electronic and magnetic properties of intrinsic defect in tetragonal ultrathin BaTiO{sub 3} nanotube (u-BTONT) have been investigated by first-principle calculations. The zigzag (9,0) u-BTONTs with two different terminations (TiO{sub 2} and BaO) can be formed by rolling up one monolayer BTO along a certain crystallographic axis, and the BaO-terminated NT is more stable than TiO{sub 2} terminated due to its lower binding energy. The oxygen vacancies on the tube are more stable than cation vacancies, and their magnetic coupling is related not only to the kinds of oxygen vacancies but also to the distance of vacancies. Moreover, both Ba and Ti vacancies also can introduce the ferromagnetism in u-BTONT, which is different from the origin of magnetism in BTO bulk and (001) surface. It is indicated that one-dimensional structure with high surface area can make it easier to form more useful vacancies which prefer ferromagnetism. Our work offers a possible route to fabricate the multiferroic materials.},
doi = {10.1007/S10948-017-4527-1},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 8,
volume = 31,
place = {United States},
year = {2018},
month = {8}
}