Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model

doi:10.1088/1674-1056/21/11/118103

中国物理B ›› 2012, Vol. 21 ›› Issue (11): 118103-118103.doi: 10.1088/1674-1056/21/11/118103

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇下一篇

Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model

陈成, 陈铮, 张静, 杨涛, 杜秀娟

State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an 710072, China

收稿日期:2011-11-29 修回日期:2012-07-09 出版日期:2012-10-01 发布日期:2012-10-01
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 51075335, 51174168, 10902086, and 51274167) and the NPU Foundation for Fundamental Research, China (Grant Nos. 201109 and NPU-FFR-JC201005).

Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model

Chen Cheng (陈成), Chen Zheng (陈铮), Zhang Jing (张静), Yang Tao (杨涛), Du Xiu-Juan (杜秀娟 )

State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an 710072, China

Received:2011-11-29 Revised:2012-07-09 Online:2012-10-01 Published:2012-10-01
Contact: Chen Cheng E-mail:286500935@qq.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 51075335, 51174168, 10902086, and 51274167) and the NPU Foundation for Fundamental Research, China (Grant Nos. 201109 and NPU-FFR-JC201005).

摘要/Abstract

摘要： We modify the anisotropic phase-field crystal model (APFC), and present a semi-implicit spectral method to numerically solve the dynamic equation of the APFC model. The process results in the acceleration of computations by orders of magnitude relative to the conventional explicit finite-difference scheme, thereby, allowing us to work on a large system and for a long time. The faceting transitions introduced by the increasing anisotropy in crystal growth are then discussed. In particular, we investigate the morphological evolution in heteroepitaxial growth of our model. A new formation mechanism of misfit dislocations caused by vacancy trapping is found. The regular array of misfit dislocations produces a small-angle grain boundary under the right conditions, and it could significantly change the growth orientation of epitaxial layers.

关键词: phase field crystal, misfit dislocations, heteroepitaxial growth

Abstract: We modify the anisotropic phase-field crystal model (APFC), and present a semi-implicit spectral method to numerically solve the dynamic equation of the APFC model. The process results in the acceleration of computations by orders of magnitude relative to the conventional explicit finite-difference scheme, thereby, allowing us to work on a large system and for a long time. The faceting transitions introduced by the increasing anisotropy in crystal growth are then discussed. In particular, we investigate the morphological evolution in heteroepitaxial growth of our model. A new formation mechanism of misfit dislocations caused by vacancy trapping is found. The regular array of misfit dislocations produces a small-angle grain boundary under the right conditions, and it could significantly change the growth orientation of epitaxial layers.

Key words: phase field crystal, misfit dislocations, heteroepitaxial growth

中图分类号: (Theory and models of film growth)

81.15.Aa

68.55.J- (Morphology of films) 02.70.Hm (Spectral methods)

陈成, 陈铮, 张静, 杨涛, 杜秀娟 . Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model[J]. 中国物理B, 2012, 21(11): 118103-118103.

Chen Cheng (陈成), Chen Zheng (陈铮), Zhang Jing (张静), Yang Tao (杨涛), Du Xiu-Juan (杜秀娟 ). Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model[J]. Chin. Phys. B, 2012, 21(11): 118103-118103.

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Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model

Faceting transitions in crystal growth and heteroepitaxial growth in the anisotropic phase-field crystal model

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