Sengupta Parijat, Tan Yaohua, Klimeck Gerhard, Shi Junxia
Department of Electrical Engineering, University of Illinois at Chicago, Chicago, IL 60607, United States of America.
J Phys Condens Matter. 2017 Oct 11;29(40):405701. doi: 10.1088/1361-648X/aa8087. Epub 2017 Sep 1.
We study the low temperature thermal conductivity of single-layer transition metal dichalcogenides (TMDCs). In the low temperature regime where heat is carried primarily through transport of electrons, thermal conductivity is linked to electrical conductivity through the Wiedemann-Franz law (WFL). Using a k.p Hamiltonian that describes the [Formula: see text] and [Formula: see text] valley edges, we compute the zero-frequency electric (Drude) conductivity using the Kubo formula to obtain a numerical estimate for the thermal conductivity. The impurity scattering determined transit time of electrons which enters the Drude expression is evaluated within the self-consistent Born approximation. The analytic expressions derived show that low temperature thermal conductivity (1) is determined by the band gap at the valley edges in monolayer TMDCs and (2) in presence of disorder which can give rise to the variable range hopping regime, there is a distinct reduction. Additionally, we compute the Mott thermopower and demonstrate that under a high frequency light beam, a valley-resolved thermopower can be obtained. A closing summary reviews the implications of results followed by a brief discussion on applicability of the WFL and its breakdown in context of the presented calculations.
我们研究了单层过渡金属二硫属化物(TMDCs)的低温热导率。在低温区域,热量主要通过电子输运来传递,热导率通过维德曼-弗兰兹定律(WFL)与电导率相关联。使用描述[公式:见原文]和[公式:见原文]谷边缘的k.p哈密顿量,我们利用久保公式计算零频电导率(德鲁德电导率),以获得热导率的数值估计。进入德鲁德表达式的电子的杂质散射决定的渡越时间在自洽玻恩近似下进行评估。推导得到的解析表达式表明,低温热导率(1)由单层TMDCs谷边缘的带隙决定,(2)在存在无序且可能导致变程跳跃机制的情况下,热导率会有明显降低。此外,我们计算了莫特热功率,并证明在高频光束下,可以获得谷分辨热功率。结尾总结回顾了结果的意义,随后简要讨论了WFL的适用性及其在所呈现计算背景下的失效情况。