Related papers: Current-spin-density functional study of persisten…
We first bring up the concept of spin-current Seebeck effect based on a recent experiment [Nat. Phys. {\bf 8}, 313 (2012)], and investigate the spin-current Seebeck effect in quantum dot (QD) systems. Our results show that the spin-current…
The logical structure and the basic theorems of time-dependent current density functional theory (TDCDFT) are analyzed and reconsidered from the point of view of recently proposed time-dependent deformation functional theory (TDDefFT). It…
The exact solutions of the complete (1+3)-dimensional Dirac equation of fermions moving in ideal Aharonov-Bohm (AB) rings and cylinders are used for deriving the exact expressions of the relativistic partial currents. It is shown that these…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
The Hohenberg-Kohn theorem of the density functional theory is extended by modifying the Levy constrained-search formulation. The new theorem allows us to choose arbitrary physical quantities as the basic variables which determine the…
Spin dynamics in the Kondo impurity model, initiated by suddenly switching the direction of a local magnetic field, is studied by means of the time-dependent density-matrix renormalization group. Quantum effects are identified by systematic…
Describing current in open quantum systems can be problematic due to the subtle interplay of quantum coherence and environmental noise. Probing the noise-induced current can be detrimental to the tunneling-induced current and vice versa. We…
The lowest eigenenergies of few, strongly interacting electrons in a one--dimensional ring are studied in the presence of an impurity barrier. The persistent current $\:I\:$, periodic in an Aharonov--Bohm flux penetrating the ring, is…
Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…
We calculate the ensemble averaged persistent current on disordered mesoscopic rings with an embedded quantum dot. We model the quantum dot as a single resonance and use Random Matrix Theory to model the impurities in the ring. Using…
Time-dependent current-density-functional theory (TDCDFT) provides an in principle exact scheme to calculate efficiently response functions for a very broad range of applications. However, the lack of approximations valid for a range of…
We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We consider iron in aluminum nitride, a material of interest for…
The prominence of density functional theory (DFT) in the field of electronic structure computation stems from its ability to usefully balance accuracy and computational effort. At the base of this ability is a functional of the electron…
Current densities are induced in the electronic structure of molecules when they are exposed to external magnetic fields. Aromatic molecular rings sustain net diatropic ring currents, whereas the net ring current in antiaromatic molecular…
We demonstrate the theoretical possibility of obtaining a pure spin current in a 1D ring with spin-orbit interaction by irradiation with a non-adiabatic, two-component terahertz laser pulse, whose spatial asymmetry is reflected by an…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
We investigate the ground state persistent spin current and the pair entanglement in one-dimensional antiferromagnetic anisotropic Heisenberg ring with twisted boundary conditions. Solving Bethe ansatz equations numerically, we calculate…
Spin-1 particles, is a fundamental bound state for the two quarks, and play a crucial role in elucidating the electromagnetic properties within the realm of hadronic physics. Their intrinsic relativistic nature mandates a quantum field…
Density-functional theory is used to study the electronic structure of quantum dots in a magnetic field. New series of magic numbers are found for the total angular momentum of electrons. The empirical formula for the plateau width is…
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…