Half-Heusler Semiconductors as Piezoelectrics

被引：204

作者：

Roy, Anindya ^{[1
]}

Bennett, Joseph W. ^{[1
]}

Rabe, Karin M. ^{[1
]}

Vanderbilt, David ^{[1
]}

机构：

[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

来源：

PHYSICAL REVIEW LETTERS | 2012年 / 109卷 / 03期

关键词：

FUNCTIONAL PERTURBATION-THEORY; CRYSTAL-STRUCTURE; PSEUDOPOTENTIALS; 1ST-PRINCIPLES;

D O I：

10.1103/PhysRevLett.109.037602

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We use a first-principles rational-design approach to demonstrate the potential of semiconducting half-Heusler compounds as a previously unrecognized class of piezoelectric materials. We perform a high-throughput scan of a large number of compounds, testing for insulating character and calculating structural, dielectric, and piezoelectric properties. Our results provide guidance for the experimental realization and characterization of high-performance materials in this class that may be suitable for practical applications.

引用

页数：5