We express the link between conductivity and coefficients of Seebeck, Nernst-Ettingshausen, Peltier, and Thompson and Reghi-Leduc via the temperature derivative of the chemical potential of a system. These general expressions are applied to three-, two- and one-dimensional systems of charge carriers having a parabolic or Dirac spectrum. The method allows for predicting thermoelectric and thermomagnetic properties of novel materials and structures.
The impact of semiconductor surface roughness on the electrical and thermal contact resistances and thermoEMF of thermoelectric material (TEM)-metal transient contact layer is studied theoretically. The distribution of hollows and humps on the rough surface is simulated by the truncated Gaussian distribution. The impact of distribution parameters on the electrical contact resistance and thermoEMF of thermoelectric material-metal contact is studied.
We performed Boltzmann transport calculation to obtain the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and thermoelectric figure of merit (ZT) for Dirac systems. We found an enhancement of ZT due to the gap opening. When the phonon thermal conductivity is small enough, the optimum ZT in gapped Dirac system can be larger than 1, which is preferable for thermoelectric applications.
Thermoelectric properties of two-dimensional (2D) Dirac materials are calculated within linearized Boltzmann transport theory and relaxation time approximation. We find that the gapless 2D Dirac material exhibits poorer thermoelectric performance than the gapped one. Furthermore, there exists an optimal band gap for maximizing the figure of merit (ZT) in the gapped 2D Dirac material. The optimal band gap ranges from 6kBT to 18kBT, where kB is the Boltzmann constant and T is the operating temperature in kelvin. This result, which is similar to that for bulk semiconductors, indicates the importa…
We show that a gap parameter can fully describe the merging of Dirac cones in semi-Dirac materials from $K$- and $K^\prime$-points into the common $M$-point in the Brillouin zone. We predict that the gap parameter manifests itself by enhancing the thermoelectric figure of merit $zT$ as the chemical potential crosses the gap followed by a sign change in the Seebeck coefficient around the same point. Subsequently, we show that there is also a trade-off feature between the maximum power delivered and the efficiency when the chemical potential crosses the gap parameter. An optimal operating point …
Molecular junctions are a versatile test bed for investigating thermoelectricity on the nanoscale1-10 and contribute to the design of new cost-effective environmentally-friendly organic thermoelectric materials11. It has been suggested that transport resonances associated with the discrete molecular levels would play a key role in the thermoelectric performance12,13, but no direct experimental evidence has been reported. Here we study single-molecule junctions of the endohedral fullerene Sc3N@C80 connected to gold electrodes using a scanning tunnelling microscope (STM). We find that the magnit…
The paper deals with thermoelectric figure of merit of the superlattice materials. It is shown,that two-dimensional character of band spectrum of thermoelectric material may increase the power factor,but not the thermoelectric figure of merit.
We investigate the electric and thermoelectric transport coefficients of nanocomposites using the Non-Equilibrium Greens Function (NEGF) method, which can accurately capture the details of geometry and disorder in these structures. We consider here two dimensional (2D) channels with embedded nanoinclusions (NIs) modelled as potential barriers of cylindrical shape and height VB. We investigate the effect of randomness of the NIs on the thermoelectric power factor by varying the positions, diameter, and heights of the barriers according to a Gaussian probability distribution. We find that the po…
Nanocomposites are promising candidates for the next generation of thermoelectric materials since they exhibit extremely low thermal conductivities as a result of phonon scattering on the boundaries of the various material phases. The nanoinclusions, however, should not degrade the thermoelectric power factor, and ideally should increase it, so that benefits to the ZT figure of merit can be achieved. In this work we employ the Non-Equilibrium Greens Function (NEGF) quantum transport method to calculate the electronic and thermoelectric coefficients of materials embedded with nanoinclusions. Fo…
Thermoelectric energy harvesters can have a much higher conversion efficiency by implementing quantum dots/wells between the high temperature region and the low temperature region. However they still suffer a limitation of the maximum output power, represented by the maximum $ΔE$ (maximum energy gap of two quantum dots/wells layers). In this work, we use the piezoelectric material in the high temperature region, which has conceptually addressed the problem of the maximum power limitation. Full analysis of device physics including comparison with the existing technology and quantum simulation h…
Spin-orbit coupling and weak antilocalization in thermoelectric material $β$-K$_{2}$Bi$_{8}$Se$_{13}$
通过磁电阻（MR）测量研究了自旋轨道耦合（SOC）对热电材料$β$ -K $_{2}$ Bi $_{8}$ Se $_{13}$电子输运性质的影响.我们发现，这种材料中的强SOC导致弱反定域化（WAL）效应，这可以很好地描述的三维弱定域化模型。从理论拟合中提取的相位相干长度表现出幂律温度依赖性，指数约为2.1，表明电子相位退相由电子-横向声子相互作用控制。类似于拓扑绝缘体，$β$ Bi $_{8}$ Se $_{13}$中的WAL效应可以被磁性杂质（Mn）淬灭，但对非磁性杂质（Te）是稳健的。虽然我们的磁输运研究没有提供任何拓扑表面状态的证据，我们的分析表明，SOC在决定$β$ -K $_{2}$ Bi $_{8}$ Se $_{13}$的热电性能中起着重要的作用。
It is well known that the efficiency of a good thermoelectric material should be optimized with respect to doping concentration. However, much less attention has been paid to the optimization of the dopant's energy level. Thermoelectric materials doped with shallow levels may experience a dramatic reduction in their figures of merit at high temperatures due to the excitation of minority carriers that reduces the Seebeck coefficient and increases bipolar heat conduction. Doping with deep level impurities can delay the excitation of minority carriers as it requires a higher temperature to ionize…
Half-Heusler compounds (space group Fm3m) has garnered increasing attention in recent years in the thermoelectric community. Three decades ago, refractory RNiSn half-Heusler compounds (R represents refractory metals such as Hf, Zr, Ti) were found to be narrow-gap semiconductors with large Seebeck coefficients in 100s of micro-volt per Kelvin. Today, half-Heusler (HH) compounds have emerged as promising thermoelectric materials in the intermediate temperature range (400-800oC). HH materials are endowed with good thermal stability and scalability. Thermoelectric n-p modules based on HH materials…
High performance thermoelectric materials for wide-range temperature applications still remains a challenge. In this study, we have produced high-quality homogeneous $In_{0.32}Ga_{0.68}N$ on ZnO substrates, with no phase separation at high Indium content, using metal organic chemical vapor deposition for thermoelectric applications. A record high room temperature figure of merit zT is obtained of 0.86, which is five times larger than that of SiGe, the current state of the art high temperature thermoelectric material. These materials are shown to have a nearly perfect doping concentration to ma…
Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than unity is desired. To achieve this, a large Seebeck coefficient and low phonon thermal conductivity are required. We show that this can be achieved with a thin film of topological nodal line semimetals. We also discusses the correlation effect and spin current induced by a temperature gradient. The obtained results provide insight for the improvement of thermoe…
We calculate the thermoelectric response coefficients of three-dimensional Dirac or Weyl semimetals as a function of magnetic field, temperature, and Fermi energy. We focus in particular on the thermoelectric Hall coefficient $α_{xy}$ and the Seebeck coefficient $S_{xx}$, which are well-defined even in the dissipationless limit. We contrast the behaviors of $α_{xy}$ and $S_{xx}$ with those of traditional Schrödinger particle systems, such as doped semiconductors. Strikingly, we find that for Dirac materials $α_{xy}$ acquires a constant, quantized value at sufficiently large magnetic field, whi…
Extensive studies of electron transport in Dirac materials have shown positive magneto-resistance (MR) and positive magneto-thermopower (MTP) in a magnetic field perpendicular to the excitation current or thermal gradient. In contrast, measurements of electron transport often show a negative longitudinal MR and negative MTP for a magnetic field oriented along the excitation current or thermal gradient; this is attributed to the chiral anomaly in Dirac materials. Here, we report a very different magneto-thermoelectric transport behavior in the massive Dirac material ZrTe5. Although thin flakes …
We report the discovery of two-dimensional electron gas (2DEG) at the surface of thermoelectric material In$_4$Se$_3$ by angle-resolved photoemission spectroscopy. The observed 2DEG exhibits a nearly isotropic band dispersion with a considerably small effective mass of m* = 0.16 m_0, and its carrier density shows a significant temperature dependence, leading to unconventional metal-semiconductor transition at the surface. The observed wide-range thermal tunability of 2DEG in In$_4$Se$_3$ gives rise to additional degrees of freedom to better control the surface carriers of semiconductors.
Lack of materials which are thermoelectrically efficient and economically attractive is a challenge in thermoelectricity. Silicon could be a good thermoelectric material offering CMOS compatibility, harmlessness and cost reduction but it features a too high thermal conductivity. High harvested power density of 7W/cm2 at deltaT=30K is modeled based on a thin-film lateral architecture of thermo-converter that takes advantage of confinement effects to reduce the thermal conductivity. The simulation leads to the conclusion that 10nm thick Silicon has 10 times higher efficiency than bulk.
