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As the energy problem becomes more prominent, researches on thermoelectric (TE) materials have deepened over the past few decades. Low thermal conductivity enables thermoelectric materials better thermal conversion performance. In this…

Materials Science · Physics 2021-09-20 Yingtao Wang , Xian Zhang

Dislocations can greatly enhance the figure of merit of thermoelectric materials by prominently reducing thermal conductivity. However, the evolution of phonon modes with different energies when they propagate through a single dislocation…

Applied Physics · Physics 2019-10-07 Yandong Sun , Yanguang Zhou , Jian Han , Wei Liu , Cewen Nan , Yuanhua Lin , Ming Hu , Ben Xu

Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with…

Materials Science · Physics 2026-05-11 Laurenz Kremeyer , Bradley J. Siwick , Samuel Huberman

Two-dimensional transition metal carbides and nitrides (MXenes) are an emerging class of atomically-thin superconductors, whose characteristics are highly prone to tailoring by surface functionalization. Here we explore the use of hydrogen…

Superconductivity · Physics 2022-04-11 Jonas Bekaert , Cem Sevik , Milorad V. Milosevic

Engineering materials with high thermal conductivity are of fundamental interest for efficiently dissipating heat in micro/nanoelectronics. Using first principles computations we report an ultra-high thermal conductivity of 2090 Wm-1K-1…

Materials Science · Physics 2021-07-12 Rajmohan Muthaiah , Jivtesh Garg

Strain engineering is a very effective method to continuously tune the electronic, topological, optical and thermoelectric properties of materials. In this work, strain-dependent phonon transport of recently-fabricated antimonene (Sb…

Materials Science · Physics 2017-08-02 Ai-Xia Zhang , Jiang-Tao Liu , San-Dong Guo

The infrared reflectance of the transition metal chalcogenide 1T-TaS2 has been measured at temperatures from 30K to 360K over 30-45,000cm^-1 (4meV-5.5eV). The optical conductivity was obtained by Kramers-Kronig analysis. At 360K only modest…

Condensed Matter · Physics 2013-10-31 L. V. Gasparov , K. G. Brown , A. C. Wint , D. B. Tanner , H. Berger , R. Gaal , L. Forro , G. Margaritondo

Boron arsenide (BAs) single crystals had been previously reported to have thermal conductivity of 1500 W/mK at room temperature. Now we achieved thermal conductivity above 2100 W/mK at room temperature in BAs crystals due to much lower…

Due to potential applications in nano- and opto-electronics, two-dimensional (2D) materials have attracted tremendous interest. Their thermal transport properties are closely related to the performance of 2D materials-based devices. Here,…

Materials Science · Physics 2019-02-20 San-Dong Guo

The high electrical conductivity and good chemical stability of MXenes offer hopes for their use in many applications, such as wearable electronics, energy storage, or electromagnetic interference shielding. While their optical, electronic…

Materials Science · Physics 2024-12-03 Yubin Huang , Jean Spiece , Tetiana Parker , Asaph Lee , Yury Gogotsi , Pascal Gehring

We investigated theoretically the phonon thermal conductivity of single layer graphene. The phonon dispersion for all polarizations and crystallographic directions in graphene lattice was obtained using the valence-force field method. The…

Materials Science · Physics 2009-04-08 D. L. Nika , E. P. Pokatilov , A. S. Askerov , A. A. Balandin

Heat conduction in dielectric crystals originates from the propagation of atomic vibrations, whose microscopic dynamics is well described by the linearized phonon Boltzmann transport equation. Recently, it was shown that thermal…

Computational Physics · Physics 2020-02-05 Michele Simoncelli , Nicola Marzari , Andrea Cepellotti

We present experimental and theoretical investigations of phonon thermal transport in (LaMnO$_3$)$_m$/(SrMnO$_3$)$_n$ superlattices (LMO/SMO SLs) with the thickness of individual layers $m,n = 3 - 10\;$ u.c. and the thickness ratio $m/n =…

Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…

Materials Science · Physics 2019-08-14 Xiaokun Gu , Zheyong Fan , Hua Bao , C. Y. Zhao

We investigate the interactions of photoexcited carriers with lattice vibrations in thin films of the layered transition metal dichalcogenide (TMDC) WSe$_2$. Employing femtosecond electron diffraction with monocrystalline samples and first…

Mesoscale and Nanoscale Physics · Physics 2017-07-26 Lutz Waldecker , Roman Bertoni , H. Hübener , Thomas Brumme , Thomas Vasileiadis , Daniela Zahn , Angel Rubio , Ralph Ernstorfer

Two-dimensional (2D) ZrS2 monolayer (ML) has emerged as a promising candidate for thermoelectric (TE) device applications due to its high TE figure of merit, which is mainly contributed by its inherently low lattice thermal conductivity.…

Materials Science · Physics 2021-08-13 Abhiyan Pandit , Bothina Hamad

The multifaceted applications of polymers are often limited by their thermal conductivity. Therefore, understanding the mechanisms of thermal transport in polymers is of vital interest. Here, we leverage molecular layer deposition to grow…

Engineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice…

Materials Science · Physics 2021-02-22 Aravind Krishnamoorthy , Nitish Baradwaj , Aiichiro Nakano , Rajiv K. Kalia , Priya Vashishta

We investigate phonon transport in perovskite strontium titanate (SrTiO3) which is stable above its phase transition temperature (~105 K) by using first-principles molecular dynamics and anharmonic lattice dynamics. Unlike conventional…

Computational Physics · Physics 2015-06-09 Lei Feng , Takuma Shiga , Junichiro Shiomi

The ultimate limitations on carrier mobilities in metal dichalcogenides, and the dynamics associated with carrier relaxation, are unclear. We present measurements of the frequency-dependent conductivity of multilayer dichalcogenide MoS2 by…

Materials Science · Physics 2014-12-10 Jared H. Strait , Parinita Nene , Farhan Rana