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

Authors: Daoud, Salah;

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

Abstract

Структурні та п'єзоелектричні властивості бору-антимоніду (BSb) під високим тиском до 60 ГПа були досліджені за допомогою методу псевдопотенціальної плоскої хвилі в рамках теорії функціональної щільності в межах локального наближення густини для обмінно-кореляційного функціоналу. Як прямі, так і зворотні п'єзоелектричні коефіцієнти були отримані за допомогою теорії функціональних збурень щільності. Виявлено, що прямі і зворотні п'єзоелектричні коефіцієнти поступово зменшуються з тиском. 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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Keywords

LDA, п'єзоелектричні властивості, бор-антимонід, boron-antimonide, piezoelectric properties, DFPT

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
Average
Average
Green