Strain-modulated electrical and optical bandgaps of tetragonal WO3: An HSE06 hybrid functional calculation
The Heyd–Scuseria–Ernzerhof screened hybrid functional is used to investigate the strain-modulated band structure and optical properties of tetragonal WO3. An electronic bandgap of 1.53 eV for the ground state of unstrained WO3 is obtained, which is consistent with the experimental value. Upon in-pl...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2020-09-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0013070 |