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Two simple bounds on the $T_c$ of conventional, phonon-mediated superconductors are derived within the framework of Eliashberg theory in the strong coupling regime. The first bound is set by the total electron-phonon coupling available…

Superconductivity · Physics 2025-10-07 Jonathan E. Moussa , Marvin L. Cohen

Theoretical calculations of carrier transport in single-walled carbon nanotubes are compared with recent experiments. Carrier-phonon scattering is accounted for using the deformation potential approximation. Comparing with experiments, a…

Materials Science · Physics 2015-06-25 G. Pennington , A. Akturk , N. Goldsman , A. Wickenden

The electronic and vibrational properties of 2D materials are dramatically altered by the formation of a moir\'e superlattice. The lowest-energy phonon modes of the superlattice are two acoustic branches (called phasons) that describe the…

We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles.…

Mesoscale and Nanoscale Physics · Physics 2016-01-13 Tue Gunst , Troels Markussen , Kurt Stokbro , Mads Brandbyge

Discovery and design of two-dimensional (2D) materials with suitable band gaps and high carrier mobility is of vital importance for photonics, optoelectronics, and high-speed electronics. In this work, based on first principles calculations…

Materials Science · Physics 2021-01-27 Huta R. Banjade , Jinbo Pan , Qimin Yan

$\beta$-Gallium Oxide (Ga$_{2}$O$_{3}$) is an extensively investigated ultrawide-bandgap semiconductor for potential applications in power electronics and RF switching. The room temperature bulk electron mobility ($\sim$200…

Materials Science · Physics 2024-06-19 Avinash Kumar , Uttam Singisetti

Recent experiment reports that high thermal conductivity of ~1000 W/mK is observed in cubic boron arsenide crystal (BAs). In order to expand the scope of future applications, we use first-principles calculations to investigate the…

Materials Science · Physics 2018-10-29 Yanfeng Ge , Wenhui Wan , Yong Liu

We have performed polarized Raman scattering measurements on the newly discovered superconductor Ta$_{4}$Pd$_{3}$Te$_{16}$ ($T_c = 4.6$ K). We observe twenty-eight out of thirty-three Raman active modes, with frequencies in good accordance…

Superconductivity · Physics 2015-11-25 D. Chen , P. Richard , Z. -D. Song , W. -L. Zhang , S. -F. Wu , W. H. Jiao , Z. Fang , G. -H. Cao , H. Ding

The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Xiaodong Li , Jeffrey T. Mullen , Zhenghe Jin , Kostyantyn M. Borysenko , M. Buongiorno Nardelli , Ki Wook Kim

Lithium transition metal phospho-olivines are useful electrode materials, owing to their stability, high safety, low cost and cyclability. We report phonon studies using neutron inelastic scattering experiments, ab-initio density functional…

Materials Science · Physics 2014-08-19 Prabhatasree Goel , M. K. Gupta , R. Mittal , S. Rols , S. J. Patwe , S. N. Achary , A. K. Tyagi , S. L. Chaplot

We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…

Superconductivity · Physics 2023-10-31 Marco-Antonio Carmona-Galván , Rolf Heid , Omar De la Peña-Seaman

Raman scattering spectra of new Fe-based S=2 spin ladder compound BaFe$_2$Se$_2$O are measured in a temperature range between 15 K and 623 K. All six A$_{1g}$ and two B$_{1g}$ Raman active modes of BaFe$_2$Se$_2$O, predicted by the…

Molybdenum disulfide (MoS2) nanosheet, one of two dimensional (2D) semiconductors, has recently been regarded as a promising material to break through the limit of present semiconductors including graphene. However, its potential in carrier…

Mesoscale and Nanoscale Physics · Physics 2014-06-27 Hee Sung Lee , Seung Su Baik , Sung-Wook Min , Pyo Jin Jeon , Jin Sung Kim , Kyujin Choi , Sunmin Ryu , Hyoung Joon Choi , Jae Hoon Kim , Seongil Im

New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics…

Computational Physics · Physics 2016-06-22 Guangzhao Qin , Zhenzhen Qin , Wu-Zhang Fang , Li-Chuan Zhang , Sheng-Ying Yue , Qing-Bo Yan , Ming Hu , Gang Su

The cross-plane (across-layers) phonon thermal transport of five diverse, layered semiconductors is investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. For…

Materials Science · Physics 2023-11-07 Amey G. Gokhale , Ankit Jain

Layered two-dimensional (2D) materials have highly anisotropic thermal properties between the in-plane and cross-plane directions. In general, it is thought that cross-plane thermal conductivities ($\kappa_z$) are low, and therefore c-axis…

Mesoscale and Nanoscale Physics · Physics 2019-03-11 Aditya Sood , Feng Xiong , Shunda Chen , Ramez Cheaito , Feifei Lian , Mehdi Asheghi , Yi Cui , Davide Donadio , Kenneth E. Goodson , Eric Pop

Electron mobility due to electron-phonon interaction is investigated for fully fluorinated/hydrogenated zig-zag carbon nanotubes containing one-dimensional alternating chains of carbon atoms with $\pi$-bonds. The behavior of mobility…

Mesoscale and Nanoscale Physics · Physics 2025-12-03 V. L. Katkov , V. A. Osipov

The extraordinary properties of two dimensional (2D) materials, such as the extremely high carrier mobility in graphene and the large direct band gaps in transition metal dichalcogenides MX2 (M = Mo or W, X = S, Se) monolayers, highlight…

The thermoelectric transport coefficients of electrons in two recently emerged transition metal dichalcogenides(TMD), MoS2 and WSe2, are calculated by solving Boltzmann Transport equation and coupled electrical and thermal current equations…

Materials Science · Physics 2015-10-28 Krishnendu Ghosh , Uttam Singisetti

Theoretical calculations and experimental observations show MoTe2 is a type II Weyl semimetal, along with many members of transition metal dichalcogenides family. We have grown highly crystalline large-area MoTe2 thin films on Si/SiO2…

Applied Physics · Physics 2020-05-21 Niraj Bhattarai , Andrew W. Forbes , Rajendra P. Dulal , Ian L. Pegg , John Philip