Influence of Dimensionality on Thermoelectric Device Performance

The role of dimensionality on the electronic performance of thermoelectric devices is clarified using the Landauer formalism, which shows that the thermoelectric coefficients are related to the transmission, T(E), and how the conducing channels, M(E), are distributed in energy. The Landauer formalism applies from the ballistic to diffusive limits and provides a clear way to compare performance in different dimensions. It also provides a physical interpretation of the "transport distribution," a quantity that arises in the Boltzmann transport equation approach. Quantitative comparison of thermoelectric coefficients in one, two, and three dimension shows that the channels may be utilized more effectively in lower-dimensions. To realize the advantage of lower dimensionality, however, the packing density must be very high, so the thicknesses of the quantum wells or wires must be small. The potential benefits of engineering M(E) into a delta-function are also investigated. When compared to a bulk semiconductor, we find the potential for ~50 % improvement in performance. The shape of M(E) improves as dimensionality decreases, but lower dimensionality itself does not guarantee better performance because it is controlled by both the shape and the magnitude of M(E). The benefits of engineering the shape of M(E) appear to be modest, but approaches to increase the magnitude of M(E) could pay large dividends.Comment: 23 pages, 5 figure

On momentum conservation and thermionic emission cooling

The question of whether relaxing momentum conservation can increase the performance of thermionic cooling device is examined. Both homojunctions and heterojunctions are considered. It is shown that for many cases, a non-conserved lateral momentum model overestimates the current. For the case of heterojunctions with a much heavier effective mass in the barrier and with a low barrier height, however, non-conservation of lateral momentum may increase the current. These results may be simply understood from the general principle that the current is limited by the location, well or barrier, with the smallest number of conducting channels. These results also show that within thermionic emission framework, the possibilities of increasing thermionic cooling by relaxing momentum conservation are limited. More generally, however, when the connection to the source is weak or in the presence of scattering, the situation may be different. Issues that deserve further study are identified.Comment: 36 pages, 1 table, 9 figure

Computational Electronics for the 21st Century: Reflections on the Past, Present, and Future

The author’s career has coincided with the development of numerical simulation into an essential component of semiconductor device technology research and development. We now have a sophisticated suite of simulation capabilities along with new challenges for 21st Century electronics. This talk presents a short history of the field and a description of the current state of the art, but it concentrates on lessons learned and thoughts about how computational electronics can continue to contribute effectively to the development of new electronic device technologies. The author will argue that electronics is changing, and that computational electronics can play a key role in this evolution. In addition to supporting the continuing development of a small suite of physically detailed / first principles tools, he will argue for more emphasis on analytically compact, strongly physical, conceptual models. Such models help guide the development of physically detailed models, connect to circuit and application designers, and advance device science itself

Self‐consistent scattering matrix calculation of the distribution function in semiconductor devices

The scattering matrix approach is a new technique for solving the Boltzmann equation in devices. We report a self-consistent application of the technique to realistic silicon devices exhibiting strong nonlocal effects. Simulation of a hot-electron, n-i-n diode demonstrates that the new technique efficiently and accurately reproduces Monte Carlo results without the statistical noise, allowing much tighter convergence with Poisson’s equation

Simulation of the Spin Field Effect Transistors: Effects of Tunneling and Spin Relaxation on its Performance

A numerical simulation of spin-dependent quantum transport for a spin field effect transistor (spinFET) is implemented in a widely used simulator nanoMOS. This method includes the effect of both spin relaxation in the channel and the tunneling barrier between the source/drain and the channel. Account for these factors permits setting more realistic performance limits for the transistor, especially the magnetoresistance, which is found to be lower compared to earlier predictions. The interplay between tunneling and spin relaxation is elucidated by numerical simulation. Insertion of the tunneling barrier leads to an increased magnetoresistance. Numerical simulations are used to explore the tunneling barrier design issues.Comment: 31 pages, 14 figures, submitted to Journal of Applied Physic

A computational study of the thermoelectric performance of ultrathin Bi2Te3 films

The ballistic thermoelectric performance of ultrathin films of Bi2Te3, ranging in thickness from 1 to 6 quintuple layers, is analyzed using density functional theory combined with the Landauer approach. Our results show that the thinnest film, corresponding to a single quintuple layer, has an intrinsic advantage originating from the particular shape of its valence band, leading to a large power factor and figure-of-merit exceeding bulk Bi2Te3. The interaction between the top and bottom topological surface states is key. The thinnest film yields a six-fold increase in power factor compared to bulk

On the Use of Rau’s Reciprocity to Deduce External Radiative Efficiency in Solar Cells

Rau’s reciprocity relation has been used to deduce the external radiative efficiency of a wide variety of solar cells using just standard solar cell measurements, but it is based on a number of assumptions, some of which may not be valid for typical thin-film solar cells. In this paper, we use rigorous optical simulations coupled with carrier transport simulations to examine some common thin film solar cells. The results provide guidance on when the Rau relation can be used, why it can fail, and on the magnitude of the errors that can be expected in practice