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We used density-functional theory based first principles simulations to study the effects of uniaxial strain and quantum confinement on the electronic properties of germanium nanowires along the [110] direction, such as the energy gap and…

Computational Physics · Physics 2015-05-20 Paul Logan , Xihong Peng

Strain modulated electronic properties of Si/Ge core-shell nanowires along [110] direction were reported based on first principles density-functional theory calculations. Particularly, the energy dispersion relationship of the…

Computational Physics · Physics 2014-03-18 Xihong Peng , Fu Tang , Paul Logan

Strain engineering in semiconductor nanostructures offers a promising route to optimize electronic and optical properties for advanced quantum technologies. This study explores the relationship between core and shell thicknesses and strain…

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

Core-shell nanowires made of Si and Ge can be grown experimentally with excellent control for different sizes of both core and shell. We have studied the structural properties of Si/Ge and Ge/Si core-shell nanowires aligned along the…

The electronic properties of hydrogenated, spherical, Si/Ge and Ge/Si core-shell nanocrystals with a diameter ranging from 1.8 to 4.0 nm are studied within Density Functional Theory. Effects induced by quantum confinement and strain on the…

Materials Science · Physics 2022-06-23 Ivan Marri , Stefano Ossicini , Michele Amato , Simone Grillo , Olivia Pulci

We present a theoretical study of Ge-core/Si-shell nanocrystals in a wide bandgap matrix and compare the results with experimental data obtained from the samples prepared by co-sputtering. The empirical tight-binding technique allows us to…

Mesoscale and Nanoscale Physics · Physics 2017-03-07 M. O. Nestoklon , A. N. Poddubny , P. Voisin , K. Dohnalova

Nanowires with a GaSb core and an InAs shell (and the inverted structure) are interesting for studies of electron-hole hybridization and interaction effects due to the bulk broken band-gap alignment at the material interface. We have used…

Mesoscale and Nanoscale Physics · Physics 2017-04-03 Florinda Viñas , H. Q. Xu , Martin Leijnse

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

The great possibilities for strain engineering in core/shell nanowires have been explored as an alternative route to tailor the properties of binary III-V semiconductors without changing their chemical composition. In particular, we…

Core-shell Ge-SixGe1-x nanowires (NWs) are expected to contain large strain fields due to the lattice-mismatch at the core/shell interface. Here we report the measurement of core strain in a NW heterostructure using Raman spectroscopy. We…

Mesoscale and Nanoscale Physics · Physics 2012-08-03 D. C. Dillen , K. M. Varahramyan , C. M. Corbet , E. Tutuc

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

Strained nanowires with varying InAs/InP core-shell thicknesses were grown using Chemical Beam Epitaxy. Microphotoluminescence spectroscopy, performed at low temperature, was then used to study the optical properties of single wires.…

Materials Science · Physics 2007-05-23 Z. Zanolli , L. E. Froeberg , M. T. Bjoerk , M. -E. Pistol , L. Samuelson

Strain engineering in Sn-rich group IV semiconductors is a key enabling factor to exploit the direct band gap at mid-infrared wavelengths. Here, we investigate the effect of strain on the growth of GeSn alloys in a Ge/GeSn core/shell…

Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…

Materials Science · Physics 2012-08-02 José I. Martínez , Federico Calle-Vallejo , Clifford M. Krowne , Julio A. Alonso

Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve…

Mesoscale and Nanoscale Physics · Physics 2017-01-04 Lida Ansari , Farzan Gity , James C. Greer

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

We performed density-functional calculations to investigate the electronic structure of ZnO/GaN core/shell heterostructured nanowires (NWs) orientating along <0001> direction. The build-in electric filed arising from the charge…

Materials Science · Physics 2015-05-19 Zhenhai Wang , Yingcai Fan , Mingwen Zhao

Coupling a normal metal wire to a superconductor induces an excitation gap in the normal metal. In the absence of disorder, the induced excitation gap is strongly suppressed by finite-size effects if the thickness of the superconductor is…

Mesoscale and Nanoscale Physics · Physics 2019-07-31 Thomas Kiendl , Felix von Oppen , Piet W. Brouwer

We consider electrons in tubular nanowires with prismatic geometry and infinite length. Such a model corresponds to a core-shell nanowire with an insulating core and a conductive shell. In a prismatic shell the lowest energy states are…

Mesoscale and Nanoscale Physics · Physics 2018-08-22 Miguel Urbaneja Torres , Anna Sitek , Sigurdur I. Erlingsson , Gunnar Thorgilsson , Vidar Gudmundsson , Andrei Manolescu
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