【摘 要】
：
The two-dimensional graphene-like carbon allotrope,graphyne,has been recently fabricated and exhibits many interesting electronic properties.In this work,th
【机 构】
：
KeyLaboratoryofArtificialMicro-andNano-StructuresofMinistryofEducationandSchoolofPhysicsandTechnolog
【出 处】
：
第十九届全国凝聚态理论与统计物理学术会议
论文部分内容阅读
The two-dimensional graphene-like carbon allotrope,graphyne,has been recently fabricated and exhibits many interesting electronic properties.In this work,the thermoelectric properties of γ-graphyne are investigated using first-principles calculations combined with the Boltzmann transport equation for both electrons and phonons.To accurately predict the carrier relaxation time,we adopt the density functional perturbation theory and Wannier interpolation rather than the generally used deformation potential approximation which only considers the electron-acoustic phonon scattering.It is found that the thermoelectric performance of γ-graphyne exhibits a strong dependence on the temperature and carrier type.For the p-type system,a maximum ZT value of 1.6 can be achieved at 600 K,while for the n-type system,a relatively smaller ZT of l.1 is obtained at 500 K.
其他文献
In 5d transition metal compounds,novel properties arise from the interplay of electron correlations and spin-orbit interactions.In this talk,we briefly revi
One of the basic structural reasons that complex networks are "complex" is that they contain an abundant number of (long and short) cycles.Cycles lead to fe
The discovery of quantum spin Hall effect engendered a new chapter of topological materials research in condensed matter physics and materials science.Altho
We investigate the Andreev bound states (ABSs) and Josephson current in a silicene-based Josephson junction,respectively,modulated by a perpendicular electr
In this presentation,we describe an ab initio calculation for intrinsic spin hall angle (SHA) in bulk tungsten,where both alpha (α-W) and beta (β-W) phase
近年来,有关纳米体系热输运性质及其调控的报道越来越多.在非常低的温度下,从理论和实验上相继发发现了由声子、电子、和光子导致的著名的量子化热导现象,而且量子化热导
Effectively engineering the lattice thermal conductivity of materials is the key in current thermal science community.Pressure or compressive strain is one