Spontaneous polarization and piezoelectric constants of III-V nitrides
Spontaneous polarization and piezoelectric constants of III-V nitrides
复制标题
DOI：
10.1103/physrevb.56.r10024
复制
发表时间：
1997-10-15
影响因子：
3.7
通讯作者：
Vanderbilt, D
中科院分区：
文献类型：
--
作者：
Bernardini, F;Fiorentini, V;Vanderbilt, D
自发极化，动态玻恩电荷，和压电常数的III-V族氮化物AlN，GaN，和InN的从头开始研究使用贝里相方法在固体中的极化。的压电常数被发现是高达十倍以上，比在传统的III-V和II-VI半导体化合物和可比的ZnO。与常规III-V族化合物不同的其他性质是压电常数的符号（如II-VI族化合物中为正）和非常大的自发极化。[S0163-1829（97）51740-1]。
The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to polarization in solids. The piezoelectric constants are found to be up to ten times larger than in conventional III-V and II-VI semiconductor compounds and comparable to those of ZnO. Further properties at variance with those of conventional III-V compounds are the sign of the piezoelectric constants (positive as in II-VI compounds) and the very large spontaneous polarization. [S0163-1829(97)51740-1].