Strain Effect on the Electronic and Optical Properties of CdSe Nanowires

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Strain Effect on the Electronic and Optical Properties of CdSe Nanowires

title: Strain Effect on the Electronic and Optical Properties of CdSe Nanowires

creator: Huan, Hao; Chen, Li; Ye, Xiang

subject: Cadmium selenide

subject: Strain

subject: Optical properties

department: Mathematics

advisor: Advisor

abstract: First-principles density functional theory (DFT) simulations were carried out to study the strain dependence on the electronic and optical properties of cadmium selenide (CdSe) nanowires (NWs). The band structures, effective masses of electron and holes, dielectric properties, and other optical properties (such as extinction coefficient, optical reflectivity, and absorption coefficient) were calculated under both compressive and tensile uniaxial strains.Size-dependence was also discussed by comparing results among CdSe wires with various diameters. Simulation results show that an interesting band-switch behavior occurs at the valence bands regardless of size. The cause and the consequences of such band-switch behavior were also studied. Further strain dependence on corresponding electronic and optical properties were examined as well. Our results provide insights to possible mechanical tuning via strain on the electronic and optical properties of CdSe NWs.

date: 2017-03-19

type: Faculty Publications

identifier: doi 10.1186/s11671-017-1952-9

citation: Nanoscale Research Letters, 2017, vol. 12:178

rights: Open Access

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