Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approaches-Reference-Cited by-同舟云学术

Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approaches

Published:2016-12-09 Issue:5 Volume:38 Page:257-264
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Erba Alessandro¹,Caglioti Dominique¹,Zicovich-Wilson Claudio Marcelo²,Dovesi Roberto¹

Affiliation:

1. Dipartimento di Chimica; Università di Torino and NIS, Nanostructured Interfaces and Surfaces, Centre of Excellence; Via Giuria 5 Torino 10125 Italy

2. Centro de Investigación en Ciencias-(IICBA), Universidad Autónoma del Estado de Morelos; Av. Universidad, 1001, Col. Chamilpa Cuernavaca Morelos 62209 Mexico

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference54 articles.

1. Theory of polarization of crystalline solids

2. Berry-phase theory of proper piezoelectric response

3. Macroscopic polarization in crystalline dielectrics: the geometric phase approach

4. Piezoelectricity of SrTiO3: Anab initiodescription

5. Low-temperature phase of BaTiO3: Piezoelectric, dielectric, elastic, and photoelastic properties fromab initiosimulations

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