All posts under category "Condensed Matter / Cond-Mat.mes-Hall"
The adsorption behavior of toxic gas molecules (NO, CO, NO2, and NH3) on graphene-like BC3 are investigated using first-principle density functional theory (DFT). The most stable adsorption configurations, adsorption energies,binding distances,charge transfers,electronic band structures,and the cond
To ensure the practical application of atomically thin transition metal dichalcogenides, it is essential to characterize their structural stability under external stimuli such as electric fields and currents. Using vacancy monolayer islands on TiSe2 surfaces as a model system, for the first time we
Investigating the interaction of electron beams with materials and light has been a field of research since more than a century. The field was advanced theoretically by the raise of quantum mechanics and technically by the introduction of electron microscopes and accelerators. It is possible nowaday
Electronic logic gates are the basic building blocks of every computing and micro controlling system. Logic gates are made of switches, such as diodes and transistors. Ion-selective, ionic switches may emulate electronic switches [1-8]. If we ever want to create artificial bio-chemical circuitry, th
The influence of a single walled carbon nanotube on the structure of a cholesterol cluster (domain) developed over the surface of the endothelial protein 1LQV has been investigated using the classical molecular dynamics (MD) simulation technique. We have observed a substantial impact of carbon nanot
We show how the micro-focused BLS signal of forward volume spin waves is formed and why it remains observable despite symmetry-based 'suppression' expectations. A reciprocity-theorem based model with vectorial diffraction-limited focusing identifies the nonnegligible longitudinal focal-field compone
The observation of a stable doublet pattern in the field-emission electron microscopy of a linear atomic chain requires a stable mechanism breaking the axial symmetry, which is not identified correctly by Mikhailovskij et al. [Phys. Rev. B 80, 165404 (2009)]. Using microscopic calculations, we attri
Built-in electrostatic fields in Zincblende quantum dots originate mainly from - (1) the fundamental crystal atomicity and the interfaces between two dissimilar materials, (2) the strain relaxation, and (3) the piezoelectric polarization. In this paper, using the atomistic NEMO 3-D simulator, we stu
Much attention has been focused on the design of low barrier nanomagnets (LBM), whose magnetizations vary randomly in time owing to thermal noise, for use in binary stochastic neurons (BSN) which are hardware accelerators for machine learning. The performance of BSNs depend on two important paramete
Orbital-free (OF) methods promise significant speed-up of computations based on density functional theory (DFT). In this field, the development of accurate kinetic-energy density functionals remains an open question. In this chapter we review the shell-correction method (SCM, commonly known as Strut
Magnetic skyrmions are knot-like quasiparticles. They are candidates for non-volatile data storage in which information is moved between fixed read and write terminals. Read-out operation of skyrmion-based spintronic devices will rely upon electrical detection of a single magnetic skyrmion within a
A novel algorithm has been proposed for simulating thermal decomposition of atomic clusters at such low temperatures that the corresponding lifetimes are macroscopic and, hence, standard molecular dynamics algorithms are inapplicable. The proposed algorithm is based on a combination of the molecular
We have investigated the lattice thermal transport across the asymmetric tilt grain boundary between armchair and zigzag graphene by nonequilibrium molecular dynamics (NEMD). We have observed significant temperature drop and ultra-low temperature-dependent thermal boundary resistance. More important
We present a finite element method (FEM) solver for computation of optical resonance modes in VCSELs. We perform a convergence study and demonstrate that high accuracies for 3D setups can be attained on standard computers. We also demonstrate simulations of thermo-optical effects in VCSELs.
The effects of an atomistic interface roughness in n-type silicon nanowire transistors (SiNWT) on the radio frequency performance are analyzed. Interface roughness scattering (IRS) is statistically investigated through a three dimensional full-band quantum transport simulation based on the sp3d5s?*
An insulating optical lattice with double-well sites is considered. In the case of the unity filling factor, an effective Hamiltonian in the pseudospin representation is derived. A method is suggested for manipulating the properties of the system by varying the shape of the double-well potential. In
We study a balanced two-component system of ultracold fermions in one dimension with attractive interactions and subject to a spin-dependent optical lattice potential of opposite sign for the two components. We find states with different types of modulated pairing order parameters which are conceptu
We report photoexcited-state crystal structures for two new members of the [Ru(SO_2)(NH_3)_4X]Y family: 1:X=H2O, Y=(+/-)-camphorsulfonate_2; 2:X=isonicotinamide, Y=tosylate_2. The excited states are metastable at 100 K, with a photoconversion fraction of 11.1(7)% achieved in 1, and 22.1(10)% and 26.
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