Phys. Rev. Lett. 62, 2853–2856 (1989)Piezoelectric properties of III-V semiconductors from first-principles linear-response theoryReceived 7 November 1988; published in the issue dated 12 June 1989 We present a novel ab initio approach to piezoelectricity. The piezoelectric tensor is given by the stress induced by a homogeneous electric field. The perturbation is treated self-consistently by linear response, thus avoiding both supercells and numerical differentiation. We calculate the piezoelectric constants of none III-V semiconductors: as a by-product we also provide the first systematic study of zone-center phonons, internal strain parameters, effective charges, and dielectric constants. Our results agree very well with experiments where available, and allow predictions where they are not. © 1989 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.62.2853
DOI:
10.1103/PhysRevLett.62.2853
PACS:
77.60.+v, 71.10.+x
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.