Article

Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15(M = Ta, Nb): a DFT study using HSE06

Ehsan ZahediDepartment of Physical ChemistryMirabbos HojamberdievDepartment of Natural and Mathematic SciencesMaged F. Bekheet10623 Berlin

RSC Advancesjournal2016en

ABI

Abstract

Density functional theory has been used to investigate crystal structure, effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15(M = Ta, Nb) as UV-light-responsive photocatalysts.

Topics

Perovskite Materials and Applications Multiferroics and related materials Advanced Photocatalysis Techniques

Identifiers

DOI: 10.1039/c6ra10603j

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Cited by 1 55 references

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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

Abstract

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Identifiers

Citations and references