Matching Boundary Conditions for a Heterogeneous Atomic Chain

作     者：陈星如 刘舒瑜 唐少强 

作者机构：HEDPSCAPT and LTCSDepartment of Mechanics and Engineering ScienceCollege of EngineeringPeking University 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2016年第33卷第8期

页      面：1-4页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：Supported by the Chun-Tsung Fund the National Natural Science Foundation of China under Grant Nos 11272009 and 11521202 

主　　题：for on it Matching Boundary Conditions for a Heterogeneous Atomic Chain of is MBC that 

摘      要：We propose accurate boundary treatments for a heterogeneous atomic chain, in terms of matching boundary conditions （MBCs）. The main challenge lies in reproducing the physical reflection across the boundary to a correct amount. With reflection coefficients we demonstrate that the accuracy is improved when more atoms are used under the boundary condition. The inclusion of an atom in the embedded sublattice B may considerably enhance the performance. Numerical testing illustrates the effectiveness of the proposed MBCs.