Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba<sub>5</sub>M<sub>4</sub>O<sub>15</sub>(M = Ta, Nb): a DFT study using HSE06
Ehsan ZahediDepartment of Physical ChemistryMirabbos HojamberdievDepartment of Natural and Mathematic SciencesMaged F. Bekheet10623 Berlin
ABI
Аннотация
Density functional theory has been used to investigate crystal structure, effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba<sub>5</sub>M<sub>4</sub>O<sub>15</sub>(M = Ta, Nb) as UV-light-responsive photocatalysts.
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