Atomic structures and mechanical properties of single-crystal GaN nanotubes
作者： B. Xu , A. J. Lu , B. C. Pan , Q. X. Yu
DOI: 10.1103/PHYSREVB.71.125434
关键词:
摘要: An approach is proposed to theoretically construct a realistic single-crystal GaN nanotube at atomic scale. The generated structures of the nanotubes match structural aspects from experiment very well. Our energetic calculations show that with [100]-oriented lateral facets more stable than [110]-oriented facets, when they have around same wall thickness. For specified orientation on nanotubes, stabilities tubes obey $P$ rule, in which ratio number four-coordinated atoms three-coordinated atoms. Furthermore, Young's modulus considered decrease increasing bulk surface each type tube. and analysis demonstrate effect enhances its significantly.
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