共 24 条
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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