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4H-Silicon Carbide (4H-SiC) possesses a high Baliga figure of merit, making it a promising material for power electronics. However, its applications are limited by its low hole mobility. Herein, we found that the hole mobility of 4H-SiC is…

Hexagonal diamond (h-diamond), or Lonsdaleite, has been reported to be a wide-bandgap semiconductor with high thermal conductivity and hardness. Our \textit{ab initio} calculations reveal its exceptionally high carrier mobility at room…

Materials Science · Physics 2026-03-18 Zirui He , Shang-Peng Gao , Meng Chen

Si dominates the semiconductor industry material but possesses an abnormally low room temperature hole mobility (505 cm^2/Vs), which is four times lower than that of Diamond and Ge (2000 cm^2/Vs), two adjacent neighbours in the group IV…

Materials Science · Physics 2020-11-05 Q. L. Yang , H. X. Deng , S. H. Wei , S. S. Li , J. W. Luo

Ultra-wide bandgap and the absence of shallow dopants are the major challenges in realizing diamond based electronics. However, the surface functionalization offers an excellent alternative to tune electronic structure of diamonds. Herein,…

Materials Science · Physics 2022-08-05 N. Mohasin Sulthana , K. Ganesan , P. K. Ajikumar , S. Dhara

Using the first-principles calculations based on density functional theory, we systematically investigate the strain-engineering (tensile and compressive strain) electronic, mechanical and transport properties of monolayer penta-SiC$_2$. By…

Materials Science · Physics 2017-01-16 Yuanfeng Xu , Zeyu Ning , Hao Zhang , Gang Ni , Hezhu Shao , Bo Peng , Xiangchao Zhang , Xiaoying He , Yongyuan Zhu , Heyuan Zhu

Transistors based on III-V semiconductor materials have been used for a variety of analog and high frequency applications driven by the high electron mobilities in III-V materials. On the other hand, the hole mobility in III-V materials has…

Materials Science · Physics 2015-05-30 Aneesh Nainani , Brian. R. Bennett , J. Brad Boos , Mario G. Ancona , Krishna C. Saraswat

Here we present an analysis of the mobility-limiting mechanisms of a two-dimensional hole gas on hydrogen-terminated diamond surfaces. The scattering rates of surface impurities, surface roughness, non-polar optical phonons, and acoustic…

Electrically-conducting diamond is a promising candidate for next-generation electronic, thermal and electrochemical applications. One of the major obstacles towards its exploitation is the strong degradation that some of its key physical…

Mesoscale and Nanoscale Physics · Physics 2019-11-28 Erik Piatti , Davide Romanin , Dario Daghero , Renato S. Gonnelli

We combine density functional theory within the local density approximation, the quasiharmonic approximation, and vibrational density of states to calculate single crystal elastic constants, and bulk and shear moduli of diamond at…

Materials Science · Physics 2015-06-05 M. Núñez Valdez , K. Umemoto , R. M. Wentzcovitch

The transformation pathways of carbon at high pressures are of broad interest for synthesis of novel materials and for revealing the Earth's geological history. We have applied large plastic shear on graphite in rotational anvils to form…

Materials Science · Physics 2018-05-30 Yang Gao , Yanzhang Ma , Qi An , Valery Levitas , Yanyan Zhang , Biao Feng , Jharna Chaudhuri , William A. Goddard

We study the formation and decay of electron-hole droplets in diamonds at both low and high temperatures under different excitations by master equations. The calculation reveals that at low temperature the kinetics of the system behaves as…

Materials Science · Physics 2007-05-23 J. H. Jiang , M. W. Wu , M. Nagai , M. Kuwata-Gonokami

Understanding the interactions between strain, interfacial mechanics, and electrical performance is critical for designing beyond silicon electronics based on hetero-integrated 2D materials. Through combined experiment and simulation, we…

Crystal strain variation imposes significant limitations on many quantum sensing and information applications for solid-state defect qubits in diamond. Thus, precision measurement and control of diamond crystal strain is a key challenge.…

The ultra-wide bandgap of diamond distinguishes it from other semiconductors, in that all known defects have deep energy levels that are inactive at room temperature. Here, we present the effect of deep defects on the mechanical energy…

We control the electronic structure of the silicon-vacancy (SiV) color-center in diamond by changing its static strain environment with a nano-electro-mechanical system. This allows deterministic and local tuning of SiV optical and spin…

We describe a dynamical phase transition occurring within a shear band at high temperature and under extremely high shear rates. With increasing temperature, dislocation deformation and grain boundary sliding is supplanted by amorphization…

Materials Science · Physics 2016-05-23 Con Healy , Sascha Koch , Carsten Siemers , Debashis Mukherji , Graeme J Ackland

We calculate the dislocation glide mobility in solid $^4$He within a model that assumes the existence of a superfluid field associated with dislocation lines. Prompted by the results of this mobility calculation, we study within this model…

Other Condensed Matter · Physics 2017-01-20 Abdul N. Malmi-Kakkada , Oriol T. Valls , Chandan Dasgupta

The calculated electron mobility for a graphene nanoribbon as a function of applied electric field has been found to have a large threshold field for entering a nonlinear transport regime. This field depends on the lattice temperature,…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Danhong Huang , Godfrey Gumbs , O. Roslyak

Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…

Materials Science · Physics 2009-11-11 Rafael Ramirez , Carlos P. Herrero , Eduardo R. Hernandez

We report on the diffusive-ballistic thermal conductance of multi-moded single-crystal silicon beams measured below 1 K. It is shown that the phonon mean-free-path $\ell$ is a strong function of the surface roughness characteristics of the…

Instrumentation and Methods for Astrophysics · Physics 2014-03-25 Karwan Rostem , David T. Chuss , Felipe A. Colazo , Erik J. Crowe , Kevin L. Denis , Nathan P. Lourie , Samuel H. Moseley , Thomas R. Stevenson , Edward J. Wollack
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