Electronic structure and optical properties of Sr{sub 2}SnO{sub 4} studied with FP-LAPW method in density functional theory
- Inorganic and Physical Chemistry Research Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung 40132 (Indonesia)
Oxide material of Sr{sub 2}SnO{sub 4}, when it is doped with Ti becomes a phosphor material that can emit intense blue light at room temperature. It is important to study the electronic structure of this material in order to determine the optical processes that occur in Ti-doped Sr{sub 2}SnO{sub 4}. Electronic structure and optical properties of Sr{sub 2}SnO{sub 4} is studied using density functional theory framework with full potential linearized augmented plane waves plus local orbitals (FP-LAPW+lo) method. We use modified Becke-Johnson (mBJ) exchange-correlation potential to calculate the energy gap. Our calculation showed that Sr{sub 2}SnO{sub 4} has indirect band gap with band gap energy of around 4.2 eV. The experimental absorption spectra of Sr{sub 2}SnO{sub 4} indicated that this oxide has band gap of around 4.6 eV and it is closer to the results given by mBJ exchange-correlation potential. We also studied other optical properties of Sr{sub 2}SnO{sub 4} and it is found in agreement with the experimental results.
- OSTI ID:
- 22391470
- Journal Information:
- AIP Conference Proceedings, Vol. 1656, Issue 1; Conference: APS 2012: 5. Asian Physics Symposium, Bandung (Indonesia), 10-12 Jul 2012; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
GENERAL PHYSICS
ABSORPTION SPECTRA
CORRELATIONS
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
ELECTRONIC STRUCTURE
ENERGY GAP
EV RANGE
OPTICAL PROPERTIES
PHOTON EMISSION
POTENTIALS
STRONTIUM COMPOUNDS
TEMPERATURE RANGE 0273-0400 K
TIN OXIDES
VISIBLE RADIATION
WAVE PROPAGATION