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Nanostructured materials enable high thermal transport tunability, holding promises for thermal management and heat harvesting applications. Predicting the effect that nanostructuring has on thermal conductivity requires models, such as the…

Materials Science · Physics 2021-10-19 S. Aria Hosseini , Sarah Khanniche , P. Alex Greaney , Giuseppe Romano

Interactions between the lattice and charge carriers can drive the formation of phases and ordering phenomena that give rise to conventional superconductivity, insulator-to-metal transitions, and charge-density waves. These couplings also…

Exciton transport in 2D semiconductors holds promise for room-temperature, ultra-compact optoelectronic devices, but it is limited by short propagation distances. Hybridization of excitons with cavity photons to form exciton-polaritons can…

Mesoscale and Nanoscale Physics · Physics 2025-07-08 Jamie M. Fitzgerald , Roberto Rosati , Ermin Malic

Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking MoSe$_2$/WSe$_2$ lateral heterostructures as a model…

Materials Science · Physics 2025-03-11 Xin Wu , Zhang Wu , Ting Liang , Zheyong Fan , Jianbin Xu , Masahiro Nomura , Penghua Ying

The Raman selection rules of the (ZnSe, BeSe) mixed phonon polariton created by alloying in the three mode (1ZnSe, 2BeSe) ZnBeSe system, whose dramatic S like dispersion covers the large frequency gap between the ZnSe and BeSe spectral…

Materials Science · Physics 2016-11-10 H. Dicko , O. Pages , F. Firszt , K. Strzalkowski , W. Paszkowicz , A. Maillard , C. Jobard , L. Broch

The lattice dynamics of TiO$_2$ in the rutile crystal structure was studied by a combination of thermal diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. We experimentally confirm the existence of an…

Materials Science · Physics 2016-01-13 Björn Wehinger , Alexeï Bosak , Paweł T. Jochym

To explore the thermal and thermoelectric potential of 2D materials, we study the h-NbN monolayer, which lacks mirror symmetry and features a large acoustic-optical phonon gap and quadratic flexural mode. First-principles calculations and…

Materials Science · Physics 2025-11-17 Himanshu Murari , Subhradip Ghosh , Mukul Kabir , Ashis Kundu

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

Materials Science · Physics 2025-03-25 H. F. Feng , B. Liu , Xin-Gao Gong , Zhi-Xin Guo

Thermal conductivity in dielectric crystals is the result of the relaxation of lattice vibrations described by the phonon Boltzmann transport equation. Remarkably, an exact microscopic definition of the heat carriers and their relaxation…

Materials Science · Physics 2016-10-26 Andrea Cepellotti , Nicola Marzari

The principal paradigm for determining the thermoelectric properties of materials is based on the Boltzmann transport equations (BTEs) or Landauer equivalent. These equations depend on the electron and phonon density of states (e-DOS and…

Computational Physics · Physics 2024-11-05 J. A. Worden , M. R. von Spakovsky , C. Hin

This paper describes a simple and general method for deriving the inelastic collision term in the electron Boltzmann equation for scattering from a coupled electron-phonon system, and applies the method to the case of doped polar…

Condensed Matter · Physics 2016-08-31 B. A. Sanborn

One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate mode-based transport information. Although recent advances in computation lead to mode-based information, it is hindered by…

The impact of boundary scattering on non-diffusive thermal relaxation of a transient grating in thin membranes is rigorously analyzed using the multidimensional phonon Boltzmann equation. The gray Boltzmann simulation results indicate that…

We study the electron and phonon thermalization in simple metals excited by a laser pulse. The thermalization is investigated numerically by solving the Boltzmann transport equation taking into account all the relevant scattering mechanism:…

Materials Science · Physics 2018-02-28 Shota Ono

A first-principles density functional method along with the direct solution of linearized Boltzmann transport equations are employed to systematically analyze the low-temperature thermal transport in crystalline GeTe. The extensive thermal…

Materials Science · Physics 2020-09-28 Kanka Ghosh , Andrzej Kusiak , Jean-Luc Battaglia

Classical thermal transport theories that preserve rotational symmetry, predict strong anharmonic scattering of out-of-plane lattice vibrational modes called flexural phonons in flat suspended graphene sheets. Such strong scattering…

Materials Science · Physics 2026-04-07 Navaneetha K. Ravichandran

Accurately predicting carrier mobility in strongly anharmonic solids necessitates a precise characterization of lattice dyndamics as a function of temperature. We achieve consistency with experimental electron mobility data for bulk…

Materials Science · Physics 2024-07-29 Luigi Ranalli , Carla Verdi , Marios Zacharias , Jacky Evens , Feliciano Giustino , Cesare Franchini

A new non-ballistic analytical model for the intrinsic channel region of MOSFET-like single-walled carbon-nanotube field-effect transistors with ohmic contacts has been developed which overcomes the limitations of existing models and…

Mesoscale and Nanoscale Physics · Physics 2016-03-01 Igor Bejenari , Martin Claus

The transport of charged particles or photons in a scattering medium can be modelled with a Boltzmann equation. The mathematical treatment for scattering in such scenarios is often simplified if evaluated in a frame where the scattering…

Plasma Physics · Physics 2024-02-27 Nils W. Schween , Brian Reville

The emergence of phonon frequency combs exemplifies a rare and intriguing phenomenon in quantum solids. Materials with distinctive phonon band structures are especially promising for hosting such states, as their vibrational dispersion…