,Effect of isotope doping on phonon thermal conductivity of silicene nanoribbons: A molecular dynami

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:q912569130
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Silicene,a silicon analogue of graphene,has attracted increasing research attention in recent years because of its unique electrical and thermal conductivities.In this study,phonon thermal conductivity and its isotopic doping effect in silicene nanoribbons (SNRs) are investigated by using molecular dynamics simulations.The calculated thermal conductivities are approximately 32 W/mK and 35 W/mK for armchair-edged SNRs and zigzag-edged SNRs,respectively,which show anisotropic behaviors.Isotope doping induces mass disorder in the lattice,which results in increased phonon scattering,thus reducing the thermal conductivity.The phonon thermal conductivity of isotopic doped SNR is dependent on the concentration and arrangement patte of dopants.A maximum reduction of about 15% is obtained at 50% randomly isotopic doping with 30Si.In addition,ordered doping (i.e.,isotope superlattice) leads to a much larger reduction in thermal conductivity than random doping for the same doping concentration.Particularly,the periodicity of the doping superlattice structure has a significant influence on the thermal conductivity of SNR.Phonon spectrum analysis is also used to qualitatively explain the mechanism of thermal conductivity change induced by isotopic doping.This study highlights the importance of isotopic doping in tuning the thermal properties of silicene,thus guiding defect engineering of the thermal properties of two-dimensional silicon materials.
其他文献
The topological magnon insulator on a honeycomb lattice with Dzyaloshinskii–Moriya interaction (DMI) is studied under the application of a circularly polarized
Bilayer graphene quantum dots with rotational stacking faults (RSFs) having different rotational angles were studied. Using the first-principles calculation, we
The influence of Er3+ ions on the spectra of Yb3+,Er3+∶ Sc2SiO5 (SSO) single crystal,which was obtained by Czochralski (Cz) method,is discussed.The absorption
We study two types of bright solitons in an attractive Bose–Einstein condensate with a spin–orbit interaction. By solving the coupled nonlinear Schr?dinger eq
As one of the most important realizations of stimulated emission depletion (STED) microscopy,the continuouswave (CW) STED system,constructed by using CW lasers
The structural, electronic, and adsorption properties of Li/Na ions on graphene decorated by epoxy groups are inves-tigated by first-principles calculations bas
High chemical reactivity, large volume changes, and uncontrollable lithium dendrite growth have always been the key problems of lithium metal anodes. Coating ha
The full potential of optical absorption property must be further cultivated before silicon (Si) semiconductor nanowire (NW) arrays become available for mainstr
A small amount of Ni was added into the binary Gd50Co50 amorphous alloy to replace Gd in order to obtainteary Co50Gd50-xNix (x=1, 2, and 3) amorphous alloys. Co
Metal ions play critical roles in the interaction between deoxyribonucleic acid (DNA) and protein. The experimental research has demonstrated that the Mg2+ ion