首页   按字顺浏览 期刊浏览 卷期浏览 Classical trajectories studies of diet from alkali halides
Classical trajectories studies of diet from alkali halides

 

作者: C. Jedrzejek,   L. Ciepliński,  

 

期刊: Radiation Effects and Defects in Solids  (Taylor Available online 1994)
卷期: Volume 128, issue 1-2  

页码: 99-105

 

ISSN:1042-0150

 

年代: 1994

 

DOI:10.1080/10420159408218860

 

出版商: Taylor & Francis Group

 

关键词: molecular dynamics;desorption induced electronic transitions

 

数据来源: Taylor

 

摘要:

Desorption of positive ions in alkali halides resulting from the repulsive environment created by core-hole Auger decay has been previously found not likely due to lattice rearrangement and trapping of the ion. We revisit the problem by studying ion trajectories using classical molecular dynamics in the crystalline (rather than cluster) geometry with careful account of the Madelung energy. We find that the previous findings remain unchanged. In contrast to previous works, we also assume that the positive ion gained substantial amount of kinetic energy at the onset of simulations, crudely mimicking ion-stimulated desorption. Then the ejection of the formed positive halogen ion occurs for initial kinetic energies of the order 2 eV forNaFand 0.65 eV forLiF. Implications for viability of the Knotek-Feibelman mechanism are discussed.

 

点击下载:  PDF (368KB)



返 回