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The role of graded interfaces between materials in a cylindrical free-standing quantum wire with longitudinal heterostructures is theoretically investigated, by solving the Schr\"odinger equation within the effective mass approximation.…

Mesoscale and Nanoscale Physics · Physics 2011-05-06 Andrey Chaves , J. A. K. Freire , G. A. Farias

Dopant-based quantum computing implementations often require the dopants to be situated close to an interface to facilitate qubit manipulation with local gates. Interfaces not only modify the energies of the bound states but also affect…

Mesoscale and Nanoscale Physics · Physics 2015-12-10 J. C. Abadillo-Uriel , M. J. Calderón

We examine the impact of quantum confinement on the interaction potential between two charges in two-dimensional semiconductor nanosheets in solution. The resulting effective potential depends on two length scales, namely the thickness $d$…

Mesoscale and Nanoscale Physics · Physics 2020-09-16 F. García Flórez , Laurens D. A. Siebbeles , H. T. C. Stoof

Interfaces in materials are often treated as massless geometric boundaries, and many kinetic models adopt an overdamped assumption. In this Letter, we show that grain boundaries exhibit inertial behavior under high-frequency oscillatory…

Materials Science · Physics 2025-12-03 Xinyuan Song , Chuang Deng

The combined effect of finite potential barriers and dielectric mismatch between dot and matrix on excitonic properties of semiconductor quantum dots has been studied. To avoid the unphysical divergence in the self-polarization energy which…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Pablo G. Bolcatto , Cesar R. Proetto

Exchange interaction has been studied for electrons in coupled quantum dots (QD's) by a configuration interaction method using confinement potentials with different profiles. The confinement potential has been parametrized by a two-centre…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 A. Kwasniowski , J. Adamowski

Interface states at a boundary between regions with different spin-orbit interactions (SOIs) in two-dimensional (2D) electron systems are investigated within the one-band effective mass method with generalized boundary conditions for…

Mesoscale and Nanoscale Physics · Physics 2011-09-21 Aleksei A. Sukhanov , Vladimir A. Sablikov

The influence of the external pressure and surface energy on the wetting transition at nanotextured interfaces is studied using molecular dynamics and continuum simulations. The surface roughness of the composite interface is introduced via…

Soft Condensed Matter · Physics 2018-07-12 Bishal Bhattarai , Nikolai V. Priezjev

Here, we quantitatively determine the impact of III-V/Si interface atomic configuration on the wetting properties of the system. Based on a description at the atomic scale using density functional theory, we first show that it is possible…

Materials Science · Physics 2023-08-22 S. Pallikkara Chandrasekharan , I. Lucci , D. Gupta , C. Cornet , L. Pedesseau

The effective transport properties of heterogeneous nanoscale materials and structures are affected by several geometrical and physical factors. Among them the presence of imperfect interfaces plays a central role being often at the origin…

Materials Science · Physics 2012-12-18 Fabio Pavanello , Fabio Manca , Pier Luca Palla , Stefano Giordano

In the present work we undertake a re-examination of effective mass theory (EMT) for a semiconductor quantum dot. We take into account the fact that the effective mass ($m_i$) of the carrier inside the dot of radius R is distinct from the…

Condensed Matter · Physics 2007-05-23 M. S. Chhabra , V. Ranjan , Vijay A. Singh

The effective nucleon mass (M^*) plays a central role in Quantum Hadrodynamics-I (QHD-I), linking scalar meson interactions at the microscopic level to the macroscopic properties of dense nuclear matter. In this work, we re-derive the…

Nuclear Theory · Physics 2025-09-15 Ghitha Nadhira Azka Rahiemy , Eko Tri Sulistyani , Pekik Nurwantoro

How does an electrochemical interface respond to changes in the electrode potential? How does the response affect the key properties of the system - energetics, excess charge, capacitance? Essential questions key to ab-initio simulations of…

Chemical Physics · Physics 2023-07-20 Simeon D. Beinlich , Georg Kastlunger , Karsten Reuter , Nicolas G. Hörmann

We develop a generalized theory for the scattering process produced by interface roughness on charge carriers and which is suitable for any semiconductor heterostructure. By exploiting our experimental insights into the three-dimensional…

The objective of the present paper is to investigate interface effects in carbon nanotubes. We use both real and k-space tight binding method. We study in detail the effect of wrapping vector on the electronic properties. We analyze the…

Computational Physics · Physics 2007-05-23 N. Stefanakis

Exciton dissociation at heterojunctions in photovoltaic devices is not completely understood despite being fundamentally necessary to generate electrical current. One of the fundamental issues for ab initio calculations is that hybrid…

Mesoscale and Nanoscale Physics · Physics 2017-06-20 Michael J. Waters , Daniel Hashemi , John Kieffer

In this paper, density functional theory calculations are used to explore the electronic and atomic reconstruction at interfaces between III-III/I-V oxides. In particular, at these interfaces, two dimensional electron gases (2DEGs) with…

Materials Science · Physics 2012-06-06 Valentino R. Cooper

We study the effective forces acting between colloidal particles trapped at a fluid interface which itself is exposed to a pressure field. To this end we apply what we call the ``force approach'', which relies solely on the condition of…

Soft Condensed Matter · Physics 2008-03-31 Alvaro Dominguez , Martin Oettel , Siegfried Dietrich

Using different segmental dynamics and relaxation, characteristics of the interface growth is examined in an electrophoretic deposition of polymer chains on a three (2+1) dimensional discrete lattice with a Monte Carlo simulation.…

Soft Condensed Matter · Physics 2007-05-23 Frank W. Bentrem , Jun Xie , R. B. Pandey

Graphene quantum dots (GQD) are interesting materials due to the confined sizes which allow to exploit their optoelectronic properties, especially when they interface with organic molecules through physisorption. In particular, when…

Materials Science · Physics 2019-10-23 Silvio Osella , Stefan Knippenberg
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