Excitonic optical properties of wurtzite ZnS quantum dots under pressure

被引：10

作者：

Zeng, Zaiping ^{[1
]}

Garoufalis, Christos S. ^{[1
]}

Baskoutas, Sotirios ^{[1
]}

Bester, Gabriel ^{[2
]}

机构：

[1] Univ Patras, Mat Sci Dept, Patras 26504, Greece

[2] Univ Hamburg, Inst Phys Chem, D-20146 Hamburg, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 2015年 / 142卷 / 11期

关键词：

LOW-TEMPERATURE SYNTHESIS; HEXAGONAL PHASE ZNS; HYDROSTATIC-PRESSURE; ELASTIC-CONSTANTS; HARTREE-FOCK; SEMICONDUCTORS; NANOCRYSTALS; TRANSITION; NANOSTRUCTURES; DEPENDENCE;

D O I：

10.1063/1.4914473

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

By means of atomistic empirical pseudopotentials combined with a configuration interaction approach, we have studied the optical properties of wurtzite ZnS quantum dots in the presence of strong quantum confinement effects as a function of pressure. We find the pressure coefficients of quantum dots to be highly size-dependent and reduced by as much as 23% in comparison to the bulk value of 63 meV/GPa obtained from density functional theory calculations. The many-body excitonic effects on the quantum dot pressure coefficients are found to be marginal. The absolute gap deformation potential of quantum dots originates mainly from the energy change of the lowest unoccupied molecular orbital state. Finally, we find that the exciton spin-splitting increases nearly linearly as a function of applied pressure. (C) 2015 AIP Publishing LLC.

引用

页数：5

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