Rezania H, Nourian E, Abdi M, Astinchap B
Department of Physics, Razi University Kermanshah Iran
Department of Physics, Faculty of Science, University of Kurdistan 66177-15175 Sanandaj Kurdistan Iran.
RSC Adv. 2023 Mar 10;13(12):7988-7999. doi: 10.1039/d2ra08296a. eCollection 2023 Mar 8.
In this paper, we apply a tightly binding Hamiltonian model in the presence of a magnetic field for investigating the electronic and transport properties of γ-graphyne layers. We also consider the effects of in-plane biaxial strain on the electronic behavior of γ-graphyne layers. Moreover the impact of strain on magnetic susceptibility and specific heat of the structure is also studied. In particular, the temperature dependence of static thermal conductivity of γ-graphyne layers due to magnetic field and strain effects is studied. We exploit the linear response theory and Green's function approach to obtain the temperature behavior of thermal conductivity, electrical conductivity and the Seebeck coefficient. Our numerical results indicate that thermal conductivity increases upon increasing temperature temperatures. This effect comes from the increasing thermal energy of charge carriers and their excitation to the conduction bands. The temperature dependence of Seebeck coefficient shows that the thermopower of an undoped γ-graphyne layer is positive on the whole range of temperatures in the absence of strain effects. The effects of both electron doping and magnetic field factors on temperature behavior of the electrical conductivity of γ-graphyne are investigated in detail. Moreover the effects of biaxial strain on thermal conductivity of single layer γ-graphyne have been addressed.
在本文中,我们应用一个存在磁场时的紧束缚哈密顿模型来研究γ-石墨炔层的电子和输运性质。我们还考虑了面内双轴应变对γ-石墨炔层电子行为的影响。此外,还研究了应变对该结构的磁化率和比热的影响。特别地,研究了由于磁场和应变效应导致的γ-石墨炔层静态热导率的温度依赖性。我们利用线性响应理论和格林函数方法来获得热导率、电导率和塞贝克系数的温度行为。我们的数值结果表明,热导率随温度升高而增加。这种效应源于载流子热能的增加及其向导带的激发。塞贝克系数的温度依赖性表明,在没有应变效应的情况下,未掺杂的γ-石墨炔层的热电动势在整个温度范围内为正。详细研究了电子掺杂和磁场因素对γ-石墨炔电导率温度行为的影响。此外,还讨论了双轴应变对单层γ-石墨炔热导率的影响。