Computer modelling of doping and ion implantation in F-/OH--topaz

被引：2

作者：

Jackson, RA ^{[1
]}

Valerio, MEG

机构：

[1] Univ Keele, Sch Chem & Phys, Keele ST5 5BG, Staffs, England

[2] Univ Fed Sergipe, Dept Fis, BR-49100000 Sao Cristovao, SE, Brazil

来源：

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2004年 / 218卷

关键词：

D O I：

10.1016/j.nimb.2003.12.008

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

This paper describes a computational study of the doping of F- and OH--topaz by Ti3+, Cr3+, Mn3+ and Fe3+, these ions being of technological interest in ion implantation studies. First the methodology to be used is discussed briefly, and then previous calculations of the lattice properties of topaz are reviewed. The procedure used in extending these calculations to study defective and doped topaz is then explained, and the derivation of potentials for dopant-topaz interactions is described. Finally calculations of substitution and solution energies of dopants in topaz are detailed, and the results discussed. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：42 / 45

页数：4