Structural and Piezoelectric Properties of BSb under High Pressure: a DFT Study

Authors Salah Daoud
Affiliations

Laboratoire Matériaux et Systèmes Electroniques, Université Mohamed Elbachir El Ibrahimi de Bordj Bou Arreridj, Bordj Bou Arreridj, 34000, Algérie

Е-mail salah_daoud07@yahoo.fr
Issue Volume 11, Year 2019, Number 5
Dates Received 24 May 2019; revised manuscript received 20 October 2019; published online 25 October 2019
Citation Salah Daoud, J. Nano- Electron. Phys. 11 No 5, 05004 (2019)
DOI https://doi.org/10.21272/jnep.11(5).05004
PACS Number(s) 62.20._x, 77.65._j
Keywords DFPT, Boron-antimonide, Piezoelectric properties, LDA (3) .
Annotation

Structural and piezoelectric properties of boron-antimonide (BSb) under high pressure up to 60 GPa were investigated using the pseudopotential plane wave method in the framework of the density functional theory within the local density approximation for the exchange-correlation functional. Both direct and converse piezoelectric coefficients were obtained using the density functional perturbation theory. Both direct and converse piezoelectric coefficients decrease gradually with pressure.

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