Related papers: Magnetic Interactions between Nanoscale Domains in…
The relation of the magnetically dead layer and structural defects in ultrafine interacting NiFe2O4 nanoparticles (<d> = 4 nm) have been investigated using transmission electron microscopy, X-ray diffraction, ^57Fe M\"ossbauer spectroscopy,…
The experimental investigations of the magnetic interactions in an atomically thin magnetic layer are essential to understand the physics of low-dimensional magnets. The full spectrum of collective magnetic excitations (magnons) would…
The physical properties of magnetic nanoparticles have been investigated with focus on the influence of dipolar interparticle interaction. For weakly coupled nanoparticles, thermodynamic perturbation theory is employed to derive analytical…
Hybrid nanocomposites can offer a wide range of opportunities to control the light-matter interac- tion and electromagnetic energy flow at the nanoscale, leading to exotic optoelectronic devices. We study theoretically the dipole-dipole…
We present a density-functional theory (DFT) approach to the study of the phase diagram of the maximum density droplet (MDD) in two-dimensional quantum dots in a magnetic field. Within the lowest Landau level (LLL) approximation, analytical…
Late transition-metal oxides with small charge-transfer energy $\Delta$ raise issues for state-of-the-art correlated electronic structure schemes such as the combination of density functional theory (DFT) with dynamical mean-field theory…
We investigate the solvation of methane and methane decorated with charges in spherically confined water droplets. Free energy profiles for a single methane molecule in droplets, ranging in diameter D, from 1 to 4 nm, show that the droplet…
Domain walls (DWs) in perpendicularly magnetized nanotracks (PMNTs) with interfacial Dzyaloshinskii-Moriya interaction (DMI) have become the primary objects of theoretical and experimental interest due to their technological suitability in…
The transport of fluids at the nanoscale is fundamental to manifold biological and industrial processes, ranging from neurotransmission to ultrafiltration. Yet, it is only recently that well-controlled channels with cross-sections as small…
Electronic, magnetic or structural inhomogeneities ranging in size from nanoscopic to mesoscopic scales seem endemic, and are possibly generic, to colossal magnetoresistance manganites and other transition metal oxides. We show here that an…
Droplet interactions with solid surfaces are fundamental to natural phenomena and hold significant commercial relevance across diverse applications. While the impingement dynamics of conventional aqueous droplets on solid substrates are…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…
We perform a global analysis of searches for the permanent electric dipole moments (EDMs) of the neutron, neutral atoms, and molecules in terms of six leptonic, semileptonic, and nonleptonic interactions involving photons, electrons, pions,…
In this paper, correlated studies on a test set of 36 small molecules are carried out with both wavefunction (HF, MP2, CCSD) and density functional (LDA, KT3, cTPSS, cM06-L) methods. The effect of correlation on exotic response properties…
Magnetic gels with embedded micro/nano-sized magnetic particles in crosslinked polymer networks can be actuated by external magnetic fields, with changes in their internal microscopic structures and macroscopic mechanical properties. We…
Describing analytically the transport properties of electrolytes, such as their conductivity or the self-diffusion of the ions, has been a central challenge of chemical physics for almost a century. In recent years, this question has…
Strong light-matter interactions in both the single-emitter and collective strong coupling regimes attract significant attention due to emerging quantum and nonlinear optics applications, as well as opportunities for modifying…
The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated…
For sparse materials like graphitic systems and carbon nanotubes the standard density functional theory (DFT) faces significant problems because it cannot accurately describe the van der Waals interactions that are essential to the…
The magnetic relaxation processes in disordered two-dimensional ensembles of dipole-coupled magnetic nanoparticles are theoretically investigated by performing numerical simulations. The energy landscape of the system is explored by…