Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers
- Department of Physics and Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189 (China)
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.
- OSTI ID:
- 22410025
- Journal Information:
- Journal of Applied Physics, Vol. 117, Issue 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
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