化学势、应变和自旋轨道耦合影响下的线心蜂窝结构的热电性能

IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Mahtab Jamshidipour , Mona Abdi , Bandar Astinchap
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引用次数: 0

摘要

本文研究了线心蜂窝(LCH)结构的热电性能,重点研究了四个关键传输系数:电导率、导热系数、塞贝克系数和优值。结果表明,导热系数随化学势的增大而增大,直至达到峰值,而电导率在零化学势时达到最大值,并随化学势的进一步变化而减小。研究了自旋轨道耦合(SOC)、拉伸应变和压缩应变以及横向磁场对热电性能的影响,得到了显著的发现。影响电导率的两个关键因素是荷电状态和压缩形式的应变。这些参数的应用提高了电导率和导热性。此外,分析了特定条件下的态密度(DOS)图,以更深入地了解LCH结构的电子行为。该研究使用了紧密结合方法和格林的功能框架,为理解材料的热电响应提供了一种可靠的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Thermoelectric performance of line-centered honeycomb structures under the influence of chemical potential, strain, and spin-orbit coupling

Thermoelectric performance of line-centered honeycomb structures under the influence of chemical potential, strain, and spin-orbit coupling
This paper investigates the thermoelectric properties of the line-centered honeycomb (LCH) structure, focusing on four key transport coefficients: electrical conductivity, thermal conductivity, Seebeck coefficient, and figure of merit. The results reveal that thermal conductivity increases with chemical potential until peaking, whereas electrical conductivity reaches its maximum at zero chemical potential and decreases with further changes in chemical potential. The influence of spin-orbit coupling (SOC), tensile and compressive strain, and a transverse magnetic field on the thermoelectric properties is also thoroughly examined, yielding notable findings. The two key factors influencing conductivity are SOC and strain in the form of compression. The application of these parameters enhances both electrical and thermal conductivity. Additionally, density of states (DOS) diagrams under specific conditions are analyzed to provide deeper insights into the electronic behavior of the LCH structure. The study uses the tight-binding method and Green's function framework, offering a robust approach to understanding the material's thermoelectric response.
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来源期刊
Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids 工程技术-化学综合
CiteScore
7.80
自引率
2.50%
发文量
605
审稿时长
40 days
期刊介绍: The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.
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