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The sp3d5s*-spin-orbit-coupled atomistic tight-binding (TB) model is used for the electronic structure calculation of Si nanowires (NWs), self consistently coupled to a 2D Poisson equation, solved in the cross section of the NW. Upon…

Materials Science · Physics 2013-09-19 Neophytos Neophytou , Oskar Baumgartner , Zlatan Stanojevic , Hans Kosina

The mobility of p-type nanowires (NWs) of diameters of D=12nm down to D=3nm, in [100], [110], and [111] transport orientations is calculated. An atomistic tight-binding model is used to calculate the NW electronic structure. Linearized…

Mesoscale and Nanoscale Physics · Physics 2010-11-12 Neophytos Neophytou , Hans Kosina

A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…

Materials Science · Physics 2011-08-25 Neophytos Neophytou , Hans Kosina

Utilizing sp3d5s* tight-binding band structure and wave functions for electrons and holes we show that acoustic phonon limited hole mobility in [110] grown silicon nanowires (SiNWs) is greater than electron mobility. The room temperature…

Materials Science · Physics 2008-06-02 A. K. Buin , A. Verma , A. Svizhenko , M. P Anantram

Ultra-thin-body (UTB) channel materials of a few nanometers in thickness are currently considered as candidates for future electronic, thermoelectric, and optoelectronic applications. Among the features that they possess, which make them…

Mesoscale and Nanoscale Physics · Physics 2011-04-11 Neophytos Neophytou , Gerhard Klimeck , Hans Kosina

We investigate the effect of confinement and orientation on the phonon transport properties of ultra-thin silicon layers of thicknesses between 1 nm-16 nm. We employ the modified valence force field method to model the lattice dynamics and…

Mesoscale and Nanoscale Physics · Physics 2013-06-12 Hossein Karamitaheri , Neophytos Neophytou , Hans Kosina

We report the transport characteristics of both electrons and holes through narrow constricted crystalline Si "wall-like" long-channels that were surrounded by a thermally grown SiO2 layer. Importantly, as a result of the existence of fixed…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 C. S. Mayberry , Danhong Huang , G. Balakrishnan , C. Kouhestani , N. Islam , S. R. J. Brueck , A. K. Sharma

Nitride semiconductors are ubiquitous in optoelectronic devices such as LEDs and Blu-Ray optical disks. A major limitation for further adoption of GaN in power electronics is its low hole mobility. In order to address this challenge, here…

Materials Science · Physics 2019-09-04 Samuel Poncé , Debdeep Jena , Feliciano Giustino

A fundamental obstacle toward the realization of GaN p-channel transistors is its low hole mobility. Here we investigate the intrinsic phonon-limited mobility of electrons and holes in wurtzite GaN using the ab initio Boltzmann transport…

Materials Science · Physics 2019-10-02 Samuel Poncé , Debdeep Jena , Feliciano Giustino

Within the framework of Boltzmann equation, we present a $\mathbf{k\cdot p}$ theory based study for the low-field mobilities of InSb nanowires (InSb NWs) with relatively large cross sectional sizes (with diameters up to 51.8 nm). For such…

Mesoscale and Nanoscale Physics · Physics 2017-06-02 Wei Feng , Chen Peng , Shuang Li , Xin-Qi Li

We study the effect of confinement on the phonon properties of ultra-narrow silicon nanowires of side sizes of 1-10nm . We use the modified valence force field method to compute the phononic dispersion, and extract the density of states,…

Mesoscale and Nanoscale Physics · Physics 2013-04-05 Hossein Karamitaheri , Neophytos Neophytou , Mohsen Karami Taheri , Rahim Faez , Hans Kosina

The quality of the silicon-oxide interface plays a crucial role in fabricating reproducible silicon spin qubits. In this work we characterize interface quality by performing mobility measurements on silicon Hall bars. We find a peak…

The low-field electron mobility in rectangular silicon nanowire (SiNW) transistors was computed using a self-consistent Poisson-Schr\"{o}dinger-Monte Carlo solver. The behavior of the phonon-limited and surface-roughness-limited components…

Materials Science · Physics 2016-11-17 E. B. Ramayya , D. Vasileska , S. M. Goodnick , I. Knezevic

The influence of local oxidation in silicon nanowires on hole transport, and hence the effect of varying the oxidation state of silicon atoms at the wire surface, is studied using density functional theory in conjunction with a Green's…

Materials Science · Physics 2010-02-03 Giorgos Fagas , James C. Greer

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

Bi$_2$O$_2$Se is an emerging high-performance layered semiconductor with excellent stability. While experimental studies have explored carrier transport across various doping levels for both $n$-type and $p$-type conduction, a comprehensive…

Materials Science · Physics 2026-01-15 Yubo Yuan , Ziye Zhu , Jiaming Hu , Wenbin Li

Using atomistic electronic structure calculations and Boltzmann semi-classical transport we compute the thermoelectric power factor of ultra-thin-body p-type Si layers of thicknesses from W=3nm up to 10nm. We show that the power factor for…

Materials Science · Physics 2012-07-31 Neophytos Neophytou , Hans Kosina

It is suggested that low dimensionality can improve the thermoelectric (TE) power factor of a device, offering an enhancement of the ZT figure of merit. In this work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model and the…

Mesoscale and Nanoscale Physics · Physics 2011-06-13 Neophytos Neophytou , Hans Kosina

We investigate the effects of electron and acoustic-phonon confinement on the low-field electron mobility of thin square silicon nanowires (SiNWs) that are surrounded by SiO$_2$ and gated. We employ a self-consistent…

Materials Science · Physics 2008-11-11 E. B. Ramayya , D. Vasileska , S. M. Goodnick , I. Knezevic

Bandstructure effects in PMOS transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 20-band sp3d5s* spin-orbit-coupled (SO) atomistic tight-binding model coupled to…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Neophytos Neophytou , Abhijeet Paul , Gerhard Klimeck
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