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The unknown quantum electronic conductance across nanojunctions made of silicon-doped carbon wires between carbon leads is investigated. This is done by an appropriate generalization of the phase field matching theory for the…

Mesoscale and Nanoscale Physics · Physics 2015-02-02 D. Szczȩśniak , A. Khater , Z. Bąk , R. Szczȩśniak , M. Abou Ghantous

We analyze the influence of spatial orientation on the optical response of hydrogenated silicon quantum wires. The results are relevant for the interpretation of the optical properties of light emitting porous silicon. We study…

Condensed Matter · Physics 2011-10-25 A. M. Saitta , F. Buda , G. Fiumara , P. V. Giaquinta

We study the electrical modulation of the transport properties of silicene constrictions with different geometrical structures by adopting the tight-binding model and non-equilibrium Green's function method. The band structure and…

Mesoscale and Nanoscale Physics · Physics 2022-06-17 Yawen Guo , Wenqi Jiang , Xinru Wang , Yijing Bai , Fei Wan , Guanqing Wang , Yuan Li

The energetic stability and electronic properties of hydrogenated silicon carbide nanowires (SiCNWs) with zinc blende (3C) and wurtzite (2H) structures are investigated using first-principles calculations within density functional theory…

Materials Science · Physics 2015-09-02 Zhenhai Wang , Mingwen Zhao , Tao He , Hongyu Zhang , Xuejuan Zhang , Zexiao Xi , Shishen Yan , Xiangdong Liu , Yueyuan Xia

The charge transport properties of single superconducting tin nanowires, encapsulated by multiwalled carbon nanotubes have been investigated by multi-probe measurements. The multiwalled carbon nanotube protects the tin nanowire from…

Nominally undoped silicon nanowires (NW) were grown by catalytic chemical vapor deposition. The growth process was optimized to control the NWs diameters by using different Au catalyst thicknesses on amorphous SiO2, Si3N4, or crystalline-Si…

Phonon properties of small Si nanowires in [110] direction have been analyzed using density functional perturbation theory. Several samples with varying diameters ranging from 0.38 to 1.5 nm have been calculated. It is found that the…

Materials Science · Physics 2022-07-06 Konstanze R. Hahn , Claudio Melis , Fabio Bernardini , Lorenzo Paulatto , Luciano Colombo

Phonon polaritons have attracted increasing interest as a means to offset the reduction in phonon thermal conductivity in nanostructures caused by enhanced boundary scattering. However, the interpretation of the limited experimental data on…

Mesoscale and Nanoscale Physics · Physics 2026-05-26 Livia C. McCormack , Mathieu Francoeur

Helical states can be measured through the observation of the reentrant behaviour, which is a dip in the conductance probed in semiconducting nanowires (NWs) with strong spin-orbit coupling (SOC) under the presence of an external…

Mesoscale and Nanoscale Physics · Physics 2022-01-05 Iann Cunha , Leonardo Villegas-Lelovsky , Leonardo Kleber Castelano

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

Controlling thermal energy transfer at the nanoscale has become critically important in many applications and thermal properties since it often limits device performance. In this work, we study the effects on thermal conductivity arising…

Using an approximate time-dependent density functional theory method, we calculate the absorption and luminescence spectra for hydrogen passivated silicon nanoscale structures with large aspect ratio. The effect of electron confinement in…

Materials Science · Physics 2009-09-27 Y. Wang , R. Q. Zhang , Th. Frauenheim , T. A. Niehaus

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

The cohesion and conductance of a point contact in a two-dimensional metallic nanowire are investigated in an independent-electron model with hard-wall boundary conditions. All properties of the nanowire are related to the Green's function…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. Burki , C. A. Stafford , X. Zotos , D. Baeriswyl

We present first-principles calculations on electron transport through Na nanowires at finite bias voltages. The nanowire exhibits a nonlinear current-voltage characteristic and negative differential conductance. The latter is explained by…

Materials Science · Physics 2016-08-31 Shigeru Tsukamoto , Kikuji Hirose

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

Low dimensional materials provide the possibility of improved thermoelectric performance due to the additional length scale degree of freedom for engineering their electronic and thermal properties. As a result of suppressed phonon…

Mesoscale and Nanoscale Physics · Physics 2010-06-23 Neophytos Neophytou , Martin Wagner , Hans Kosina , Siegfried Selberherr

We have performed experiments on single-wall carbon nanotube (SWNT) networks and compared with density-functional theory (DFT) calculations to identify the microscopic origin of the observed sensitivity of the network conductivity to…

Mesoscale and Nanoscale Physics · Physics 2010-01-15 D. J. Mowbray , C. Morgan , K. S. Thygesen

We analyze the performance of a recently reported Ge/Si core/shell nanowire transistor using a semiclassical, ballistic transport model and an sp3s*d5 tight-binding treatment of the electronic structure. Comparison of the measured…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Gengchiau Liang , Jie Xiang , Neerav Kharche , Gerhard Klimeck , Charles M. Lieber , Mark Lundstrom

Non-diffusive thermal transport has gained extensive research interest recently due to its important implications on fundamental understanding of material phonon mean free path distributions and many nanoscale energy applications. In this…

Computational Physics · Physics 2017-01-03 Lei Ma , Riguo Mei , Mengmeng Liu , Xuxin Zhao , Qixing Wu , Hongyuan Sun