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The structural, electronic and optical properties of Si nanocrystals of different size and shape, passivated with hydrogens, OH groups, or embedded in a SiO2 matrix are studied. The comparison between the embedded and free, suspended…

Materials Science · Physics 2010-09-01 Roberto Guerra , Elena Degoli , Stefano Ossicini

Free standing InP quantum dots have previously been theoretically and experimentally shown to have a direct band gap across a large range of experimentally accessible sizes. We demonstrate that when these dots are embedded coherently within…

Materials Science · Physics 2009-10-31 A. J. Williamson , Alex Zunger , A. Canning

Experimental observations of the growth of more than one monolayer of Ge on Si(001) show a progression of effects beyond the (2xN) reconstruction which is seen at submonolayer coverages: a reduction in the value of N with coverage;…

Materials Science · Physics 2009-11-07 K. Li , D. R. Bowler , M. J. Gillan

A multiscale approach was adopted for the calculation of confined states in self-assembled semiconductor quantum dots (QDs). While results close to experimental data have been obtained with a combination of atomistic strain and…

Mesoscale and Nanoscale Physics · Physics 2014-09-16 Parijat Sengupta , Sunhee Lee , Sebastian Steiger , Hoon Ryu , Gerhard Klimeck

In this work, for the first time, a density functional theory (DFT) based comprehensive theoretical study is performed on the surface electronic properties of Bi2Se3 nanosheet in the presence of a surface capping layer as well as mechanical…

Materials Science · Physics 2024-12-10 Naresh Bahadursha , Banasree Sadhukhan , Tanay Nag , Swastik Bhattacharya , Sayan Kanungo

In the context of fast developing quantum technologies, locating single quantum objects embedded in solid or fluid environment while keeping their properties unchanged is a crucial requirement as well as a challenge. Such "quantum…

Self-assembled Ge islands were grown on stripe-patterned Si (001) substrates by solid source molecular beam epitaxy. The surface morphology obtained by atomic force microscopy (AFM) and cross-sectional transmission electron microscopy…

Materials Science · Physics 2009-11-10 Zhenyang Zhong , A. Halilovic , M. Muhlberger , F. Schaffler , G. Bauer

The electronic energy band structure of strained and unstrained Si, Ge and SiGe alloys is examined in this work using thirty-level k.p analysis. The energy bands are at first obtained with ab initio calculations based on the…

Materials Science · Physics 2007-05-23 D. Rideau , M. Feraille , L. Ciampolini , M. Minondo , C. Tavernier , H. Jaouen , A. Ghetti

Distortions of the $\sqrt3\times\sqrt3$ Sn/Ge(111) and Sn/Si(111) surfaces are shown to reflect a disproportionation of an integer pseudocharge, $Q$, related to the surface band occupancy. A novel understanding of the $(3\times3)$-1U (``1…

Materials Science · Physics 2009-11-07 G. Ballabio , G. Profeta , S. de Gironcoli , S. Scandolo , G. E. Santoro , E. Tosatti

Graphene quantum dots (GQDs) not only have potential applications on spin qubit,but also serve as essential platforms to study the fundamental properties of Dirac fermions, such as Klein tunneling and Berry phase. By now, the study of…

Mesoscale and Nanoscale Physics · Physics 2021-11-24 Si-Yu Li , Lin He

By means of density functional theory (DFT) calculations we have quantitatively estimated the impact of the spontaneous polarization (SP) of the SiC(0001) substrate on the electronic properties of quasi-freestanding graphene (QFG) decoupled…

Materials Science · Physics 2015-01-27 J. Slawinska , H. Aramberri , J. I. Cerdà

The study investigates and compares the impact of intense, non-diffractive, non-resonant structured laser beams with various intensity profiles on the properties of InAs/GaAs cylindrical quantum dot. The comparative study demon-strates that…

Mesoscale and Nanoscale Physics · Physics 2025-06-13 T. A. Sargsian , P. A. Mantashyan , D. B. Hayrapetyan

The recent experimental observations of the quantum Hall effect in 3D topological semimetals have attracted great attention, but there are still debates on its origin. We systematically study the dependence of the quantum Hall effect in…

Mesoscale and Nanoscale Physics · Physics 2021-09-15 Rui Chen , C. M. Wang , Tianyu Liu , Hai-Zhou Lu , X. C. Xie

Strained Ge ($\epsilon$-Ge) and strained Si ($\epsilon$-Si) buried quantum wells have enabled advanced spin-qubit quantum processors. However, in the absence of suitable lattice-matched substrates, $\epsilon$-Ge and $\epsilon$-Si are…

We study the electronic and magnetic properties of multilayer quantum dots (MQDs) of graphite in the nearest-neighbor approximation of tight-binding model. We calculate the electronic density of states and orbital susceptibility of the…

Mesoscale and Nanoscale Physics · Physics 2015-01-19 Hazem Abdelsalam , Tania Espinosa-Ortega , Igor Lukyanchuk

We investigate the effects of point charge defects on the single particle electronic structure, emission energies, fine structure splitting and oscillator strengths of excitonic transitions in strained In$_{0.6}$Ga$_{0.4}$As/GaAs and…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Ranber Singh , Gabriel Bester

Despite the superiority in quantum properties, self-assembled semiconductor quantum dots face challenges in terms of scalable device integration because of their random growth positions, originating from the Stranski-Krastanov growth mode.…

Mesoscale and Nanoscale Physics · Physics 2023-11-28 C. -W. Shih , I. Limame , C. C. Palekar , A. Koulas-Simos , A. Kaganskiy , P. Klenovský , S. Reitzenstein

Si(111) and Ge(111) surface formation energies were calculated using density functional theory for various biaxial strain states ranging from -0.04 to 0.04, and for a wide set of experimentally observed surface reconstructions: 3x3, 5x5,…

Materials Science · Physics 2015-06-12 R. Zhachuk , S. Teys , J. Coutinho

We demonstrate high-quality epitaxial germanium (Ge) films on a metallic silicide, Fe3Si, grown directly on a Ge(111) substrate. Using molecular beam epitaxy techniques, we can obtain an artificially controlled arrangement of silicon (Si)…

Materials Science · Physics 2012-10-04 S. Yamada , K. Tanikawa , M. Miyao , K. Hamaya

The optical properties of excitons confined in initially-unstrained GaAs/AlGaAs quantum dots are studied as a function of a variable quasi-uniaxial stress. To allow the validation of state-of-the-art computational tools for describing the…

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