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GeSn has emerged as a promising material for spintronics due to its long spin-lifetime, compatibility with silicon technology, high mobility and tunable electronic properties. Of particular interest is the transition from an indirect to a…

Materials Science · Physics 2025-05-16 Kevin Sewell , Felipe Murphy-Armando

We investigate the conduction-band structure and electron mobility in rocksalt ScN based on density functional theory. The first-principles band structure allows us to obtain band velocities and effective masses as a function of energy.…

Materials Science · Physics 2021-08-18 Sai Mu , Andrew J. E. Rowberg , Joshua Leveillee , Feliciano Giustino , Chris G. Van de Walle

Aluminum nitride is a promising ultra-wide band gap semiconductor for optoelectronics and power electronics. However, its practical applications have been limited by challenges with doping and achieving high electrical conductivity. Recent…

Materials Science · Physics 2025-06-12 Amanda Wang , Nick Pant , Woncheol Lee , Jie-Cheng Chen , Feliciano Giustino , Emmanouil Kioupakis

Mobility is a key parameter for SnO2, which is extensively studied as a practical transparent oxide n-type semiconductor. In experiments, the mobility of electrons in bulk SnO2 single crystals varies from 70 to 260 cm2V-1s-1 at room…

Materials Science · Physics 2022-11-11 Zhen Li , Patrizio Graziosi , Neophytos Neophytou

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

In this letter, carrier transport in graded Al$\mathrm{_x}$Ga$\mathrm{_{1-x}}$N with a polarization-induced n-type doping as low as ~ 10$\mathrm{^{17}}$ cm$\mathrm{^{-3}}$ is reported. The graded Al$\mathrm{_x}$Ga$\mathrm{_{1-x}}$N is grown…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 Mingda Zhu , Meng Qi , Kazuki Nomoto , Zongyang Hu , Bo Song , Ming Pan , Xiang Gao , Debdeep Jena , Huili Grace Xing

We use first-principles electronic structure methods to calculate the electronic thermoelectric properties (i.e. due to electronic transport only) of single-crystalline bulk $n$-type silicon-germanium alloys vs Ge composition, temperature,…

Materials Science · Physics 2025-02-03 F. Murphy-Armando

The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary…

In polar semiconductors and oxides, the long-range nature of the electron-phonon (\textit{e}-ph) interaction is a bottleneck to compute charge transport from first principles. Here, we develop an efficient ab initio scheme to compute and…

Materials Science · Physics 2016-12-07 Jin-Jian Zhou , Marco Bernardi

Whilst it has long been known that disorder profoundly affects transport properties, recent measurements on a series of solid solution 3d-transition metal alloys reveal two orders of magnitude variations in the residual resistivity. Using…

Materials Science · Physics 2019-03-18 Sai Mu , G. D. Samolyuk , S. Wimmer , M. C. Troparevsky , S. Khan , S. Mankovsky , H. Ebert , G. M. Stocks

Electron transport studies for AlGaN/GaN two-dimensional electron gases is presented. Novel defects in the III-V nitrides are treated theoretically for two-dimensional transport. Theory of electron scattering by charged dislocation lines is…

Materials Science · Physics 2007-05-23 Debdeep Jena , Yulia Smorchkova , Chris Elsass , Arthur C. Gossard , Umesh K. Mishra

We present a first-principles framework to investigate the electron scattering channels and transport properties for polar material by combining the exact solution of linearized electron-phonon (e-ph) Boltzmann transport equation in its…

Materials Science · Physics 2017-02-22 Te-Huan Liu , Jiawei Zhou , Bolin Liao , David J. Singh , Gang Chen

Epitaxial, n-type ZnO films grown by a laser molecular-beam epitaxy method were investigated by the temperature-dependent Hall-effect technique. The 300-K carrier concentration and mobility were about $n_s \sim 10^{16}$ cm$^{-3}$ and 440…

Materials Science · Physics 2009-11-11 T. Makino , Y. Segawa , A. Tsukazaki , A. Ohtomo , M. Kawasaki

We provide the first observation of weak localization in high carrier density two-dimensional electron gas in AlInN/GaN heterostructures; at low temperatures and low fields the conductivity increases with increasing magnetic field. Weak…

Mesoscale and Nanoscale Physics · Physics 2018-02-14 Leizhi Wang , Ming Yin , Asif Khan , Sakib Muhtadi , Fatima Asif , Eun Sang Choi , Timir Datta

In this paper, we present a study of the effects of temperature on the electron mobility in InAs/GaSb type-II superlattices (SLs) in which the band structures and wave functions are calculated by solving the K.P Hamiltonian using the…

Materials Science · Physics 2015-02-06 Sara Safa , Asghar Asgari

The electron transport in the two-dimensional gas formed in tensile-strained Si1-xGex/Si/Si1-xGex heterostructures is investigated using Monte Carlo simulation. At first the electron mobility is studied in ungated modulation doped…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 F. Monsef , P. Dollfus , S. Galdin-Retailleau , H. -J. Herzog , T. Hackbarth

Motivated by recent breakthrough in molecular beam epitaxy of GaAs/AlGaAs quantum wells [Y. J. Chung \textit{et al.}, Nature Materials \textbf{20}, 632 (2021)], we examine contributions to mobility and quantum mobility from various…

Mesoscale and Nanoscale Physics · Physics 2022-06-30 Yi Huang , B. I. Shklovskii , M. A. Zudov

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE)…

Materials Science · Physics 2015-06-17 Alireza Faghaninia , Joel W. Ager , Cynthia S. Lo

We present a comprehensive investigation of semi-classical transport properties of n-type ternary compound AlGaAs2, using Rode's iterative method. Four scattering mechanisms, have been included in our transport calculation, namely, ionized…

In this letter, we theoretically study the electron mobility in few-layer MoxW1-xS2 as limited by various scattering mechanisms. The room temperature energy-dependent scattering times corresponding to polar longitudinal optical (LO) phonon,…

Mesoscale and Nanoscale Physics · Physics 2015-09-15 Hareesh Chandrasekar , Digbijoy Neelim Nath
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