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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

A 20 band sp3d5s* spin-orbit-coupled, semi-empirical, atomistic tight-binding (TB) model is used with a semi-classical, ballistic, field-effect-transistor (FET) model, to theoretically examine the bandstructure carrier velocity and…

Mesoscale and Nanoscale Physics · Physics 2010-06-23 Neophytos Neophytou , Sung Geun Kim , Gerhard Klimeck , Hans Kosina

In this letter, we explore the bandstructure effects on the performance of ballistic silicon nanowire transistors (SNWTs). The energy dispersion relations for silicon nanowires are evaluated with an sp3d5s* tight binding model. Based on the…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Jing Wang , Anisur Rahman , Avik Ghosh , Gerhard Klimeck , Mark Lundstrom

The ballistic performance of electron transport in nanowire transistors is examined using a 10 orbital sp3d5s* atomistic tight-binding model for the description of the electronic structure, and the top-of-the-barrier semiclassical ballistic…

Materials Science · Physics 2008-09-22 Neophytos Neophytou , Abhijeet Paul , Mark S. Lundstrom , Gerhard Klimeck

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 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

As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…

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

A 20-band sp3d5s* spin-orbit-coupled, semi-empirical, atomistic tight-binding model is used with a semi-classical, ballistic, field-effect-transistor (FET) model, to examine the ON-current variations to size variations of [110] oriented…

Mesoscale and Nanoscale Physics · Physics 2009-01-30 Neophytos Neophytou , Gerhard Klimeck

We report on a theoretical study of quantum charge transport in atomistic models of silicon nanowires with surface roughness-based disorder. Depending on the nanowires features (length, roughness profile) various conduction regimes are…

Disordered Systems and Neural Networks · Physics 2011-05-17 Aurelien Lherbier , Martin Persson , Yann-Michel Niquet , Francois Triozon , Stephan Roche

We present an open-system quantum-mechanical 3D real-space study of the conduction band structure and conductive properties of two semiconductor systems, interesting for their beyond-Moore and quantum computing applications: phosphorus…

Mesoscale and Nanoscale Physics · Physics 2023-12-08 Juan P. Mendez , Denis Mamaluy

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

We analyze the effect of low dimensionality on the electrical conductivity ({\sigma}) and Seebeck coefficient (S) in ultra-narrow Si nanowires (NWs) by employing atomistic considerations for the electronic structures and linearized…

Materials Science · Physics 2015-06-16 Neophytos Neophytou , Hans Kosina

This paper examines the validity of the widely-used parabolic effective-mass approximation for computing the current-voltage (I-V) characteristics of silicon nanowire transistors (SNWTs). The energy dispersion relations for unrelaxed Si…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Jing Wang , Anisur Rahman , Avik Ghosh , Gerhard Klimeck , Mark Lundstrom

The effects of very low temperature on the electron transport in a [110] and [100] axially aligned unstrained silicon nanowires (SiNWs) are investigated. A combination of semi-empirical 10-orbital tight-binding method, density functional…

Mesoscale and Nanoscale Physics · Physics 2025-01-03 Daryoush Shiri , Reza Nekovei , Amit Verma

This paper discusses a few unique effects of ultra-thin-body double-gate NMOSFET that are arising from the bandstructure of the thin film Si channel. The bandstructure has been calculated using 10-orbital $sp^3d^5s^*$ tight-binding method.…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Kausik Majumdar , Navakanta Bhat

An approach is developed for the determination of the current flowing through a nanosize silicon-on-insulator (SOI) metal-oxide-semiconductor field-effect transistors (MOSFET). The quantum mechanical features of the electron transport are…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 M. D. Croitoru , V. N. Gladilin , V. M. Fomin , J. T. Devreese , W. Magnus , W. Schoenmaker , B. Soree

Band gap modification for small-diameter (1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter…

Materials Science · Physics 2010-02-03 Michael Nolan , Sean O'Callaghan , Giorgos Fagas , James C. Greer , Thomas Frauenheim

We have applied density-functional theory (DFT) based calculations to investigate the size and strain effects on the electronic properties, such as band structures, energy gaps, and effective masses of the electron and the hole, in Si…

Computational Physics · Physics 2010-10-11 Xihong Peng , Azar Alizadeh , Sanat K. Kumar , Saroj K. Nayak

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

In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be…

Mesoscale and Nanoscale Physics · Physics 2019-10-22 Riccardo Rurali
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