ZnxCd1-xS 中的正电子有效质量和正电子功函数

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Bulletin of Materials Science Pub Date : 2024-09-14 DOI:10.1007/s12034-024-03311-3
Abdelaziz Gassoumi, Nadir Bouarissa
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引用次数: 0

摘要

利用虚拟晶体近似(VCA)和独立粒子模型中的伪电势方法,计算了 ZnxCd1-xS 的电子和正电子化学势、正电子亲和力和体积寿命、正电子功函数和正电子有效质量。考虑到无序效应,对 VCA 进行了修正。这使得计算正电子亲和力成为可能。结果表明,正电子在 CdS 和 ZnS 中的湮灭方式不同。正电子在 CdS 和 ZnS 中的寿命分别为 241.17 ps 和 215.47 ps。因此,从 CdS 到 ZnS 的正电子寿命会缩短。当成分 x 从 0 增加到 1 时,正电子功函数从 2.245 eV 增加到 3.08 eV,这表明只有较少的正电子原子会在试样表面形成并喷射到真空中。从 CdS 到 ZnS 材料,正电子有效质量从 0.96 m0 增加到 1.34 m0。从辅助研究中收集到的细节对于改善 ZnxCd1-xS 中正电子湮灭的一致性具有重要意义。
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Positron effective mass and positronium work function in ZnxCd1−xS

Electron and positron chemical potentials, positron affinity and bulk lifetime, positronium work function and positron effective mass have been computed for ZnxCd1−xS using a pseudo-potential approach within the virtual crystal approximation (VCA) and the independent particle model. A correction to VCA is included taking into consideration the disorder effect. This has permitted the computation of the positron affinity to separate materials of interest. The performances indicated that the positron annihilates differently in CdS than in ZnS. The bulk lifetime of positron has been obtained as 241.17 ps for CdS and 215.47 ps for ZnS. Hence, it decreases when going from CdS to ZnS. The positronium work function increases from 2.245 to 3.08 eV when augmenting the composition x from 0 to 1, indicating that only fewer positronium atoms are figured in a specimen surface and ejected for the vacuum. The positron effective mass augments from 0.96 to 1.34 m0 when going from CdS to ZnS materials. The details collected from the assisted investigation are of a former significance for an ameliorate accordance of positron annihilation in ZnxCd1−xS.

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来源期刊
Bulletin of Materials Science
Bulletin of Materials Science 工程技术-材料科学:综合
CiteScore
3.40
自引率
5.60%
发文量
209
审稿时长
11.5 months
期刊介绍: The Bulletin of Materials Science is a bi-monthly journal being published by the Indian Academy of Sciences in collaboration with the Materials Research Society of India and the Indian National Science Academy. The journal publishes original research articles, review articles and rapid communications in all areas of materials science. The journal also publishes from time to time important Conference Symposia/ Proceedings which are of interest to materials scientists. It has an International Advisory Editorial Board and an Editorial Committee. The Bulletin accords high importance to the quality of articles published and to keep at a minimum the processing time of papers submitted for publication.
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