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Optical and Quantum Electronics

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01-08-2016

The investigation of pressure effect on the optical properties, spontaneous polarization and effective mass of BaHfO₃: ab initio study

Authors: C. Azahaf, H. Zaari, A. Abbassi, H. Ez-Zahraouy, A. Benyoussef

Published in: Optical and Quantum Electronics | Issue 8/2016

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Abstract

The optical properties, spontaneous polarization (Ps) and the effective mass of the cubic perovskite BaHfO₃ (BHO) under pressure effect have been investigated based on the full potential linearized augmented plane wave method and the generalized gradient approximation implemented in the WIEN2K code. The effect of the pressure is imposed on the electronic and optical properties. The results found that the optical absorption of the BHO increases with pressure in the visible range. The band gap energy and effective mass decreases. The gap varies from the direct to indirect one. The Ps was calculated also with pressure, it increases in a quasi-linear behavior as the pressure increases. The cubic BHO show promising properties, it can be used as a piezoelectric material; and can be investigated also in optoelectronic applications.

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Title: The investigation of pressure effect on the optical properties, spontaneous polarization and effective mass of BaHfO3: ab initio study
Authors: C. Azahaf
H. Zaari
A. Abbassi
H. Ez-Zahraouy
A. Benyoussef
Publication date: 01-08-2016
Publisher: Springer US
Published in: Optical and Quantum Electronics / Issue 8/2016
Print ISSN: 0306-8919
Electronic ISSN: 1572-817X
DOI: https://doi.org/10.1007/s11082-016-0652-5

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