Surface transformation and inversion domain boundaries in gallium nitride nanorods

被引:16
作者
Xiao, Pan [1 ]
Wang, Xu [2 ]
Wang, Jun [2 ]
Ke, Fujiu [1 ,2 ]
Zhou, Min [3 ,4 ]
Bai, Yilong [1 ]
机构
[1] LMN, Chinese Acad Sci, Inst Mech, Beijing 100190, Peoples R China
[2] Beihang Univ, Sch Phys, Beijing 100191, Peoples R China
[3] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
[4] Seoul Natl Univ, Sch Mech & Aerosp Engn, Seoul 151742, South Korea
关键词
domain boundaries; gallium compounds; III-V semiconductors; molecular dynamics method; nanostructured materials; semiconductor epitaxial layers; solid-state phase transformations; surface phase transformations; wide band gap semiconductors; PRESSURE PHASE-TRANSITION; MOLECULAR-BEAM EPITAXY; LIGHT-EMITTING-DIODES; GAN NANORODS; WURTZITE; BLUE; PHOTOLUMINESCENCE; SEMICONDUCTORS;
D O I
10.1063/1.3268467
中图分类号
O59 [应用物理学];
学科分类号
摘要
Phase transformation and subdomain structure in [0001]-oriented gallium nitride (GaN) nanorods of different sizes are studied using molecular dynamics simulations. The analysis concerns the structure of GaN nanorods at 300 K without external loading. Calculations show that a transformation from wurtzite to a tetragonal structure occurs along {0110} lateral surfaces, leading to the formation of a six-sided columnar inversion domain boundary (IDB) in the [0001] direction of the nanorods. This structural configuration is similar to the IDB structure observed experimentally in GaN epitaxial layers. The transformation is significantly dependent on the size of the nanorods.
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页数:3
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