Dopant concentration effects on Si1-x Gex crystals for emerging light-source technologies: a molecular dynamics study

被引:0
|
作者
Dickers, Matthew D. [1 ]
Sushko, Gennady B. [2 ]
Korol, Andrei V. [2 ]
Mason, Nigel J. [1 ]
Fantuzzi, Felipe [3 ]
Solov'yov, Andrey V. [2 ]
机构
[1] Univ Kent, Sch Phys & Astron, Ingram Bldg, Canterbury CT2 7NH, England
[2] MBN Res Ctr, Altenhoferallee 3, D-60438 Frankfurt, Germany
[3] Univ Kent, Sch Chem & Forens Sci, Ingram Bldg, Canterbury CT2 7NH, England
来源
EUROPEAN PHYSICAL JOURNAL D | 2024年 / 78卷 / 06期
基金
欧盟地平线“2020”;
关键词
CHANNELING RADIATION; LATTICE-PARAMETER; PHOTON-EMISSION; VEGARDS LAW; SIMULATION; POSITRONS; GROWTH;
D O I
10.1140/epjd/s10053-024-00870-2
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
In this study, we conduct atomistic-level molecular dynamics simulations on fixed-sized silicon-germanium (Si1 - x Ge-x crystals to elucidate the effects of dopant concentration on the crystalline inter-planar distances. Our calculations consider a range of Ge dopant concentrations between pure Si (0%) and 15%, and for both the optimised system state and a temperature of 300K. We observe a linear relationship between Ge concentration and inter-planar distance and lattice constant, in line with the approximation of Vegard's Law, and other experimental and computational results. These findings will be employed in conjunction with future studies to establish precise tolerances for use in crystal growth, crucial for the manufacture of crystals intended for emerging gamma-ray crystal-based light source technologies.
引用
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页数:8
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