Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers

Weng, Yakui; Dong, Shuai

doi:10.1063/1.4913637

Title: Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers

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Abstract

In this study, the magnetism and electronic structure of LaTiO{sub 3} bilayers along both the (001) and (111) orientations are calculated using the density functional theory. The band insulator LaScO{sub 3} is chosen as the barrier layer and substrate to obtain the isolating LaTiO{sub 3} bilayer. For both the (001)- and (111)-oriented cases, LaTiO{sub 3} demonstrates the G-type antiferromagnetism as the ground state, similar to the bulk material. However, the electronic structure is significantly changed. The occupied bands of Ti are much narrower in the (111) case, giving a nearly flat band. As a result, the exchange coupling between nearest-neighbor Ti ions is reformed in these superlattices, which will affect the Néel temperature significantly.

Authors:

Weng, Yakui; Dong, Shuai ^[1]

Department of Physics and Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189 (China)

Publication Date:: Thu May 07 00:00:00 EDT 2015

OSTI Identifier:: 22410025

Resource Type:: Journal Article

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIFERROMAGNETISM; COUPLING; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; DEPLETION LAYER; ELECTRONIC STRUCTURE; GROUND STATES; LANTHANUM COMPOUNDS; NEEL TEMPERATURE; ORIENTATION; SCANDIUM OXIDES; SUBSTRATES; SUPERLATTICES; TITANATES; TITANIUM IONS

Citation Formats


                    Weng, Yakui, and Dong, Shuai. Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers.  United States: N. p., 2015. 
        Web.  doi:10.1063/1.4913637.

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                    Weng, Yakui, & Dong, Shuai. Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers.  United States.  https://doi.org/10.1063/1.4913637

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                    Weng, Yakui, and Dong, Shuai. 2015.  
        "Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers".  United States.  https://doi.org/10.1063/1.4913637.

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@article{osti_22410025,

  title        = {Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers},

  author       = {Weng, Yakui and Dong, Shuai},

  abstractNote = {In this study, the magnetism and electronic structure of LaTiO{sub 3} bilayers along both the (001) and (111) orientations are calculated using the density functional theory. The band insulator LaScO{sub 3} is chosen as the barrier layer and substrate to obtain the isolating LaTiO{sub 3} bilayer. For both the (001)- and (111)-oriented cases, LaTiO{sub 3} demonstrates the G-type antiferromagnetism as the ground state, similar to the bulk material. However, the electronic structure is significantly changed. The occupied bands of Ti are much narrower in the (111) case, giving a nearly flat band. As a result, the exchange coupling between nearest-neighbor Ti ions is reformed in these superlattices, which will affect the Néel temperature significantly.},

  doi          = {10.1063/1.4913637},

  url          = {https://www.osti.gov/biblio/22410025},
  journal      = {Journal of Applied Physics},

  issn         = {0021-8979},

  number       = 17,

  volume       = 117,

  place        = {United States},

  year         = {Thu May 07 00:00:00 EDT 2015},

  month        = {Thu May 07 00:00:00 EDT 2015}

}

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