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Quantum-confined semiconductor structures are the cornerstone of modern-day electronics. Spatial confinement in these structures leads to formation of discrete low-dimensional subbands. At room temperature, carriers transfer among different…

Mesoscale and Nanoscale Physics · Physics 2009-08-14 I. Knezevic , E. B. Ramayya , D. Vasileska , S. M. Goodnick

Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…

Materials Science · Physics 2023-08-03 S. Aria Hosseini , Alex Greaney , Giuseppe Romano

Achieving high thermoelectric performance requires efficient manipulation of thermal conductivity and a fundamental understanding of the microscopic mechanisms of phonon transport in crystalline solids. One of the major challenges in…

Materials Science · Physics 2023-05-18 Jiaoyue Yuan , Yubi Chen , Bolin Liao

We report on a study of quasi-ballistic transport in deep submicron, inhomogeneous semiconductor structures, focusing on the analysis of signatures found in the full nonequilibrium electron distribution. We perform self-consistent numerical…

Materials Science · Physics 2009-11-11 D. Csontos , S. E. Ulloa

Fast and accurate predictions of the spatiotemporal distributions of temperature are crucial to the multi-scale thermal management and safe operation of microelectronic devices. To realize it, an efficient semi-implicit Lax-Wendroff kinetic…

Computational Physics · Physics 2024-12-04 Shuang Peng , Songze Chen , Hong Liang , Chuang Zhang

The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…

Mesoscale and Nanoscale Physics · Physics 2025-05-30 Ankit Jain , Yagyank Srivastava , Amey G. Gokhale , Nidheesh Virakante , Hardik L. Kagdada

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of…

Materials Science · Physics 2009-04-10 G. Trambly de Laissardière , J. P. Julien , D. Mayou

Semiconducting alloys, in particular SiGe, have been employed for several decades as high-temperature thermoelectric materials. Devising strategies to reduce their thermal conductivity may provide a substantial improvement in their…

Materials Science · Physics 2024-08-12 Alfredo Fiorentino , Paolo Pegolo , Stefano Baroni , Davide Donadio

We perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…

Materials Science · Physics 2025-10-28 Bhawna Sahni , Yao Zhao , Zhen Li , Rajeev Dutt , Patrizio Graziosi , Neophytos Neophytou

Half Heusler (HH) alloys with 18 valence electron count have attracted significant interest in the area of research related to thermoelectrics. Understanding the novel transport properties exhibited by these systems with semiconducting…

Materials Science · Physics 2022-02-15 Kavita Yadav , Saurabh Singh , Tsunehiro Takeuchi , K. Mukherjee

The phonon Boltzmann transport equation (BTE) is widely utilized to study non-diffusive thermal transport. We find a solution of the BTE in the thin film transient thermal grating (TTG) experimental geometry by using a recently developed…

Mesoscale and Nanoscale Physics · Physics 2016-07-15 Vazrik Chiloyan , Lingping Zeng , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

We present systematic theoretical results on thermoelectric effects in semimetals based on the variational method of the linearized Boltzmann equation. Inelastic electron-hole scattering is known to play an important role in the unusual…

Strongly Correlated Electrons · Physics 2023-03-31 Keigo Takahashi , Hiroyasu Matsuura , Hideaki Maebashi , Masao Ogata

Cross-plane heat transport in thin films with thickness comparable to the phonon mean free paths is of both fundamental and practical interest. However, physical insight is difficult to obtain for the cross-plane geometry due to the…

Mesoscale and Nanoscale Physics · Physics 2014-10-13 Chengyun Hua , Austin J. Minnich

High-entropy alloys (HEAs) are at the focus of current research for their diverse properties, including superconductivity and structural polymorphism. However, the polymorphic transition has been observed only in nonsuperconducting HEAs and…

Superconductivity · Physics 2020-01-16 Jifeng Wu , Bin Liu , Yanwei Cui , Qinqing Zhu , Guorui Xiao , Hangdong Wang , Siqi Wu , Guang-han Cao , Zhi Ren

Oscillations of conductance observed in strong magnetic fields are a striking manifestation of the quantum dynamics of charge carriers in solids. The large charge carrier density in typical metals sets the scale of oscillations in both…

Alkali metal-based compounds have garnered significant attention due to their exceptionally low lattice thermal conductivity, which is crucial for applications in thermoelectric energy conversion and thermal barrier coatings. However, the…

Materials Science · Physics 2025-07-30 Tiantian Jia , Yongsen Tang , Yongsheng Zhang

We calculate the electronic thermal conductivity in a d-wave superconductor, including both the effect of impurity scattering and inelastic scattering by antiferromagnetic spin fluctuations. We analyze existing experiments, particularly…

Superconductivity · Physics 2009-10-28 P. J. Hirschfeld , W. O. Putikka

In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…

Materials Science · Physics 2015-06-22 Giuseppe Romano , Jean-Philippe Peraud , Jeffrey C. Grossman

Thermoelectric transport coefficients are determined for semiconductor quantum wires with weak thickness fluctuations. Such systems exhibit anomalies in conductance near 1/4 and 3/4 of 2e^2/h on the rising edge to the first conductance…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 T. Rejec , A. Ramsak , J. H. Jefferson

We report computational uncertainties in Boltzmann Transport Equation (BTE)-based lattice thermal conductivity prediction of 50 diverse semiconductors from the use of different BTE solvers (ShengBTE, Phono3Py, and in-house code) and…

Materials Science · Physics 2025-09-19 Yagyank Srivastava , Amey G. Gokhale , Ankit Jain