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The function of nano-scale devices critically depends on the choice of materials. For electron transport junctions it is natural to characterize the materials by their conductance length dependence, $\beta$. Theoretical estimations of…

Mesoscale and Nanoscale Physics · Physics 2018-01-17 Anders Jensen , Mikkel Strange , Søren Smidstrup , Kurt Stokbro , Gemma C. Solomon , Matthew G. Reuter

We report on a theoretical study of the electronic structures of InSb and GaSb nanowires oriented along the [001] and [111] crystallographic directions. The nanowires are described by atomistic, spin-orbit inteaction included, tight-binding…

Mesoscale and Nanoscale Physics · Physics 2015-09-08 Gaohua Liao , Ning Luo , Zhihu Yang , Keqiu Chen , H. Q. Xu

We designed ordered and disordered silicon (Si) nanowire structures and analyzed their optical performance using the finite-difference time-domain (FDTD) technique. We studied the orderness of nanowire structures by calculating scalar…

Band Structures and optical matrix elements of quantum wires(QWR's) made of short-period superlattices(SPS) with strain-induced lateral ordering(SILO) are investigated theoretically via an effective bond-orbital model(EBOM) combined with a…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 L-X. Li , J. Sun , Y. C. Chang

Energetics and conductance in jellium modelled nanowires are investigated using the local-density-functional-based shell correction method. In analogy with studies of other finite-size fermion systems, e.g., simple-metal clusters or He-3…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Constantine Yannouleas , Uzi Landman

We theoretically investigate the electron transport properties for a semiconductor quantum wire containing a single finite-size attractive impurity under an external terahertz electromagnetic field illumination in the ballistic limit.…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Guanghui Zhou , Yuan Li , Fang Cheng , Wenfu Liao

Understanding phonon transport mechanisms in nanostructures is of great importance for delicately tailoring thermal properties. Combining phonon particle and wave effects through different strategies, previous studies have obtained…

Mesoscale and Nanoscale Physics · Physics 2018-10-16 Dengke Ma , Anuj Arora , Shichen Deng , Junichiro Shiomi , Nuo Yang

We report measurements of the spatial dependence of the electron energy distribution in carbon nanotubes, from which electron interactions are determined. Using nonequilibrium tunneling spectroscopy with multiple superconducting probes, we…

Mesoscale and Nanoscale Physics · Physics 2015-04-17 Nicholas Bronn , Nadya Mason

The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular dynamics. The surface relaxation led to surface…

Stone-Wales (SW) defects are favorably existed in graphenelike materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and…

Mesoscale and Nanoscale Physics · Physics 2016-04-01 Rui Wang , Shaofeng Wang , Xiaozhi Wu

Silicon (Si) anodes attract a lot of research attention for their potential to enable high energy density lithium-ion batteries (LIBs). Many studies focus on nanostructured Si anodes to counteract deterioration. In this work, we model LIBs…

Chemical Physics · Physics 2024-04-23 Franziska Kilchert , Max Schammer , Arnulf Latz , Birger Horstmann

The absorption spectra of silicon nanowires (SiNW) are calculated using semi-empirical $sp^{3}d^{5}s^{*}$ tight binding (TB) and Density Functional Theory (DFT) methods. The role of diameter, wave function symmetry, strain and…

Mesoscale and Nanoscale Physics · Physics 2017-07-26 Daryoush Shiri , M. Golam Rabbani , Jianqing Qi , Andrei Buin , M. P. Anantram

We compute strain distributions in core-shell nanowires of zinc blende structure. We use both continuum elasticity theory and an atomistic model, and consider both finite and infinite wires. The atomistic valence force-field (VFF) model has…

Mesoscale and Nanoscale Physics · Physics 2010-06-03 Johan Grönqvist , Niels Søndergaard , Fredrik Boxberg , Thomas Guhr , Sven Åberg , H. Q. Xu

We present the results of our calculation of the effects of dynamical coupling of a charge-carrier to the electronic polarization and the field-induced lattice displacements at the gate-interface of an organic field-effect transistor…

Other Condensed Matter · Physics 2009-11-11 H. Houili , J. D. Picon , M. N. Bussac , L. Zuppiroli

We combine the ideas of scaling theory and universal conductance fluctuations with density-functional theory to analyze the conductance properties of doped silicon nanowires. Specifically, we study the cross-over from ballistic to diffusive…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Troels Markussen , Riccardo Rurali , Antti-Pekka Jauho , Mads Brandbyge

On-surface synthesis has recently emerged as an effective route towards the atomically precise fabrication of graphene nanoribbons of controlled topologies and widths. However, whether and to which degree structural disorder occurs in the…

A method is introduced to isolate and measure the electrical transport properties of individual single-walled carbon nanotubes (SWNTs) aligned on an ST-cut quartz, from room temperature down to 2 K. The diameter and chirality of the…

Mesoscale and Nanoscale Physics · Physics 2014-08-26 Tohru Watanabe , El-Hadi S. Sadki , Takahide Yamaguchi , Yoshihiko Takano

Density functional study of strain effects on the electronic band structure and transport prop- erties of the graphene nanoribbons (GNR) is presented. We apply a uniaxial strain in the x (nearest-neighbor) and y (second nearest-neighbor)…

Materials Science · Physics 2010-06-25 R. Rasuli , H. Rafii-Tabar , A. Iraji zad

We report an experimental investigation of the edge effect on the room-temperature transport in graphene nanoribbon and graphene sheet (both single-layer and bilayer). By measuring the resistance scaling behaviors at both low and high…

Mesoscale and Nanoscale Physics · Physics 2011-02-15 Guangyu Xu , Carlos M. Torres , Jianshi Tang , Jingwei Bai , Emil B. Song , Yu Huang , Xiangfeng Duan , Yuegang Zhang , Kang L. Wang

We study the band structure of semiconductor nanowires with quantum dots embedded in them. The band structure is calculated using the Rayleigh-Ritz variational method. We consider quantum dots of two different types, one type is defined by…

Mesoscale and Nanoscale Physics · Physics 2022-07-13 Natalia Giovenale , Omar Osenda}
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