Wurtzite BAlN and BGaN alloys for heterointerface polarization engineering
Wurtzite BAlN and BGaN alloys for heterointerface polarization engineering
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DOI：
10.1063/1.5008451
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发表时间：
2017-11
影响因子：
4
通讯作者：
Kaikai Liu;Haiding Sun;F. AlQatari;Wenzhe Guo;Xinwei Liu;Jingtao Li;C. Castanedo;Xiaohang Li
中科院分区：
文献类型：
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作者：
Kaikai Liu;Haiding Sun;F. AlQatari;Wenzhe Guo;Xinwei Liu;Jingtao Li;C. Castanedo;Xiaohang Li
以六方结构为参考，计算了BxAl 1-xN和BxGa 1-xN（0 ≤ x ≤ 1）三元合金的自发极化常数和压电常数。由于六方晶系和纤锌矿结构的体积变形和偶极矩差异，SP常数表现出适度的非线性。由于二元合金之间的晶格差异很大，PZ常数表现出明显的弯曲。此外，BxAl 1-xN和BxGa 1-xN的PZ常数分别在硼组分为1.87%和1.74%时变为零，表明非压电性。BxAl（1-xN）（BAlN）和BxGa（1-xN）（BGaN）的大范围SP和PZ常数可以有益于化合物半导体器件的开发。例如，对于具有适当B组分的BAlN和BGaN基异质结，可以形成零异质界面极化Δ P，从而潜在地消除了c面光学器件的量子限制斯塔克效应，从而消除了非极性层和衬底的需要。
The spontaneous polarization (SP) and piezoelectric (PZ) constants of BxAl1-xN and BxGa1-xN (0 ≤ x ≤ 1) ternary alloys were calculated with the hexagonal structure as reference. The SP constants show moderate nonlinearity due to the volume deformation and the dipole moment difference between the hexagonal and wurtzite structures. The PZ constants exhibit significant bowing because of the large lattice difference between binary alloys. Furthermore, the PZ constants of BxAl1-xN and BxGa1-xN become zero at boron compositions of ∼87% and ∼74%, respectively, indicating non-piezoelectricity. The large range of SP and PZ constants of BxAl1-xN (BAlN) and BxGa1-xN (BGaN) can be beneficial for the compound semiconductor device development. For instance, zero heterointerface polarization Δ P can be formed for BAlN and BGaN based heterojunctions with proper B compositions, potentially eliminating the quantum-confined Stark effect for c-plane optical devices and thus removing the need of non-polar layers and substrate...