Mechanisms of pit formation at strained crystalline Si(111)∕Si3N4(0001) interfaces: Molecular-dynamics simulations

作     者：Martina E. Bachlechner Deepak Srivastava Eli T. Owens Jarrod Schiffbauer Jonas T. Anderson Melissa R. Burky Samuel C. Ducatman Adam M. Gripper Eric J. Guffey Fernando Serrano Ramos 

作者机构：Physics Department West Virginia University Morgantown West Virginia 26506 USA NASA Ames Research Center MS T229-1 Moffett Field California 94035 USA Chemistry Department Davis & Elkins College Elkins West Virginia 26241 USA University High School Morgantown West Virginia 26505 USA NASA Independent Verification and Validation Facility Science and Engineering Apprenticeship Program Department of Computer Science Metropolitan University San Juan Puerto Rico 00928 

出 版 物：《Physical Review B》 (Phys. Rev. B Condens. Matter Mater. Phys.)

年 卷 期：2006年第74卷第7期

页      面：075327-075327页

核心收录：

学科分类：0808[工学-电气工程] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

摘      要：Molecular-dynamics simulations of the crystalline silicon-silicon nitride interfaces are performed to investigate the mechanical failure mechanisms at the interfaces under external strain. At 8% applied tensile strain, parallel to the interface, regular crack initiation and propagation in silicon nitride and dislocation emission and propagation in silicon are observed. At larger 16% strain, however, the formation of a pit similar to that in experiments with lattice-mismatched systems is observed. The simulation results suggest the primary mechanism of pit formation is interaction of a local compressional pinch of the film at the interface with the close proximity to the arrival of a dislocation at the interface in the highly strained silicon.