Simulating Quantum States of Positively Charged Particles Channeling along the [111] Direction in a Silicon Crystal

IF 0.5 Q4 PHYSICS, CONDENSED MATTER
V. V. Syshchenko, A. I. Tarnovsky, A. S. Parakhin, A. Yu. Isupov
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Abstract

The potential well formed by the repulsive continuous potentials of three neighboring [111] chains in a silicon crystal, for a positively charged particle, exhibits the symmetry of an equilateral triangle, described by the \({{C}_{{3{v}}}}\) group. In this case, the previously developed procedure for finding the eigenvalues of the transverse motion energy of channeled positively charged particles (positrons or protons) and the corresponding eigenfunctions of the Hamiltonian, implemented on a square spatial grid, leads to artifacts in numerical modeling. We present a modification of the modeling algorithm based on a hexagonal grid, which takes into account the symmetry of the problem. The results of both approaches are compared, demonstrating the absence of artifacts when using a hexagonal grid. Using numerical methods, all discrete energy levels of the transverse motion of channeled positrons with a longitudinal motion energy of 2, 2.5, 3, 3.5, and 4 GeV in the discussed potential well are found. The developed procedure can be used in studies of manifestations of dynamic tunneling and quantum chaos in channeling.

Abstract Image

模拟硅晶体中正电荷粒子沿 [111] 方向通道的量子态
摘要硅晶体中三个相邻[111]链的相斥连续势所形成的势阱,对于一个带正电的粒子,呈现等边三角形的对称性,由\({{C}_{{3{v}}}}\)群描述。在这种情况下,以前开发的在正方形空间网格上寻找带通道正电粒子(正电子或质子)横向运动能量特征值和哈密顿的相应特征函数的程序,会导致数值建模的假象。考虑到问题的对称性,我们提出了一种基于六边形网格的建模算法修改方案。我们对两种方法的结果进行了比较,结果表明使用六边形网格时不会出现伪影。利用数值方法,找到了所讨论的势阱中纵向运动能量为 2、2.5、3、3.5 和 4 GeV 的通道正电子横向运动的所有离散能级。所开发的程序可用于研究通道中的动态隧道和量子混沌的表现形式。
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来源期刊
CiteScore
0.90
自引率
25.00%
发文量
144
审稿时长
3-8 weeks
期刊介绍: Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques publishes original articles on the topical problems of solid-state physics, materials science, experimental techniques, condensed media, nanostructures, surfaces of thin films, and phase boundaries: geometric and energetical structures of surfaces, the methods of computer simulations; physical and chemical properties and their changes upon radiation and other treatments; the methods of studies of films and surface layers of crystals (XRD, XPS, synchrotron radiation, neutron and electron diffraction, electron microscopic, scanning tunneling microscopic, atomic force microscopic studies, and other methods that provide data on the surfaces and thin films). Articles related to the methods and technics of structure studies are the focus of the journal. The journal accepts manuscripts of regular articles and reviews in English or Russian language from authors of all countries. All manuscripts are peer-reviewed.
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