Electronic Properties of Surface Vacancies in CdS Nanocrystals

被引：1

作者：

Kupchak, I. M. ^{[1
]}

Serpak, N. F. ^{[1
]}

Kapush, O. A. ^{[1
]}

Korbutyak, D. V. ^{[1
]}

机构：

[1] NAS Ukraine, V Lashkarev Inst Semicond Phys, 45 Prospect Nauky, UA-03680 Kiev, Ukraine

来源：

PHYSICS AND CHEMISTRY OF SOLID STATE | 2018年 / 19卷 / 01期

关键词：

Cadmium sulfide; nanocrystal; photoluminescence; vacancy; density functional method;

D O I：

10.15330/pcss.19.1.34-39

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Structural and electronic characteristics of neutral and charged vacancies of cadmium and sulfur in CdS nanocrystals have been studied using the density functional method with hybrid exchange-correlation functional. Total and partial density of states, formation energies and the energies of thermodynamic transitions were calculated. Based on these theoretical findings and available experimental data, we can confirm the assumption, that the singly charged vacancies of cadmium are the centers of radiative recombination in such the structures.

引用

页码：34 / 39

页数：6

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