Related papers: First-principles simulation of spin diffusion in s…
The dynamical mean field theory (DMFT), which is successful in the study of strongly correlated fermions, was recently extended to boson systems [Phys. Rev. B {\textbf 77}, 235106 (2008)]. In this paper, we employ the bosonic DMFT to study…
We present a new quantum molecular dynamics (MD) method where the electronic structure and atomic forces are solved by a real-space dynamical mean-field theory (DMFT). Contrary to most quantum MD methods that are based on effective…
We study an ensemble of strongly coupled electrons under continuous microwave irradiation interacting with a dissipative environment, a problem of relevance to the creation of highly polarized non-equilibrium states in nuclear magnetic…
Inspired by a continuously increasing interest in modeling and framing complex systems in a thermody- namic rationale, in this paper we continue our investigation in adapting well known techniques (originally stemmed in fields of physics…
The driven transport of plastic systems in various disordered backgrounds is studied within mean field theory. Plasticity is modeled using non-convex interparticle potentials that allow for phase slips. This theory most naturally describes…
We consider properties of a two-dimensional electron system in a random magnetic field. It is assumed that the magnetic field not only influences orbital electron motion but also acts on the electron spin. For calculations, we suggest a new…
The LDA+DMFT approach merges conventional band structure theory in the local density approximation (LDA) with a state-of-the-art many-body technique, the dynamical mean-field theory (DMFT). This new computational scheme has recently become…
Nuclear matter is studied within the Density Functional Theory (DFT) framework. Our method employs a finite number of nucleons in a box subject to periodic boundary conditions, in order to simulate infinite matter and study its response to…
Phenomenological approach is developed in the theory of spin-valve type ferromagnetic junctions to describe exchange switching by current flowing perpendicular to interfaces. Forward and backward current switching effects are described and…
The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite, preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes…
Controlling electron spins strongly coupled to magnetic and nuclear spins in solid state systems is an important challenege in the field of spintronics and quantum computation. We show here that electron droplets with no net spin in…
A spin-current density-functional theory (SCDFT) is introduced, which takes into account currents of the spin-density and thus currents of the magnetization in addition to the electron density, the non-collinear spin-density, and the…
The combination of density functional theory with dynamical mean-field theory (DFT+DMFT) has become a powerful first-principles approach to tackle strongly correlated materials in condensed matter physics. The wide use of this approach…
While Macroscopic Fluctuation Theory (MFT) has been highly successful in analyzing non-equilibrium steady states, its application to non-steady-state processes remains limited. In this study, we apply MFT to the relaxation process of…
The diffraction patterns of crystalline materials with strongly-correlated disorder are characterised by the presence of structured diffuse scattering. Conventional analysis approaches generally seek to interpret this scattering either…
Diamond-based quantum sensors have enabled high-resolution NMR spectroscopy at the microscale in scenarios where fast molecular motion averages out dipolar interactions among target nuclei. However, in samples with low-diffusion, ubiquitous…
Diffusion Monte Carlo is one of the most accurate scalable many-body methods for solid state systems. However, to date, spin-orbit interactions have not been incorporated into these calcualtions at a first-principles level; only having been…
The density fluctuations of nuclear matter are studied within a mean-field model in wich fluctuations are generated by an external stochastic field. The constraints imposed on the random force by the fluctuation-dissipation theorem are…
Electronic friction-Langevin dynamics (EF-LD) provides an efficient framework for capturing nonadiabatic effects at solid surfaces, with particular relevance to electrochemistry and molecular electronics. In this work, we investigate…
A scanning tunneling microscope (STM) can probe the inelastic spin excitations of single magnetic atoms in a surface via spin-flip assisted tunneling. A particular and intriguing case is the Mn dimer case. We show here that the existing…