Related papers: Basic formulation and first-principles implementat…

We study the fundamental bounds on precision measurements of parameters contained in a time-dependent nonlinear optomechanical Hamiltonian, which includes the nonlinear light-matter coupling, a mechanical displacement term, and a…

Spin-wave excitations are fundamental to understanding the behavior of magnetic materials and hold promise for future information and communication technologies. Yet, modeling these accurately in transition-metal compounds remains…

We use covariant methods to analyse the nonlinear evolution of self-gravitating, non-relativistic media. The formalism is first applied to imperfect fluids, aiming at the kinematic effects of viscosity, before extended to inhomogeneous…

We predict a non-thermal magneto-optical effect for magnetic insulators subject to intense light carrying orbital angular momentum (OAM). Using a classical approach to second harmonic generation in non-linear media with specific symmetry…

Optomagnetics emerges as a growing field of research cross-linking optics, magnetism and material science. Here, we provide a microscopic quantum mechanical and a macroscopic classical models to describe optomagnetic effects from nonlinear…

We develop a first-principles scheme based on the continued fraction approach an d ultrasoft pseudopotentials to calculate K-edge X-ray absorption spectra in solids. The method allows for calculations of K-edge X-ray absorption spectra in…

We show that artificial magnetism of periodic dielectric or metal/dielectric structures has limitations and is subject to at least two "uncertainty principles". First, the stronger the magnetic response (the deviation of the effective…

We propose an approach for exploring magnetic structures by using Liechtenstein's method for exchange couplings from the results of first-principles calculations. Our method enables efficient and accurate exploration of stable magnetic…

We present a formalism for the calculation of multi-particle one-loop amplitudes, valid for an arbitrary number N of external legs, and for massive as well as massless particles. A new method for the tensor reduction is suggested which…

First-principles, density-functional based electronic structure calculations are carried out for MgC(Ni_{1-x}Co_{x})_{3} alloys over the concentration range 0\leq x\leq1, using Korringa-Kohn-Rostoker coherent-potential approximation (KKR…

The technique of transformation optics (TO) is an elegant method for the design of electromagnetic media with tailored optical properties. In this paper, we focus on the formal structure of TO theory. By using a complete covariant…

Micromagnetics depends on high-fidelity numerical methods for magnetization dynamics. This work proposes a third-order temporal accuracy scheme for the Landau-Lifshitz-Gilbert equation, addressing accuracy-efficiency trade-offs in existing…

Magnetic particle imaging (MPI) is a relatively new imaging modality. The nonlinear magnetization behavior of nanoparticles in an applied magnetic field is employed to reconstruct an image of the concentration of nanoparticles. Finding a…

We report a computationally tractable approach to first principles investigation of time-dependent current of molecular devices under a step-like pulse. For molecular devices, all the resonant states below Fermi level contribute to the…

The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibrium and under pressure via several advanced first-principles methods coupled with Heisenberg Hamiltonian MonteCarlo. The comparative…

For holographic memory applications, the photorefraction of well-known ferroelectric such as lithium niobate doped with different transition metals is very important. First principles study assumes special significance in this context, as…

First principles linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) electronic structure calculations are used to study thickness dependencies in the surface energies and work functions of ultra-thin (111) films of…

We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-density and generalized-gradient approximations to exchange and…

This study proposes an approach toward the first principles electronic structure calculation with the aid of symbolic-numeric solving. The symbolic computation enables us to express the Hartree-Fock-Roothaan equation and the molecular…

A magnetometric technique is demonstrated that may be suitable for precision measurements of fields ranging from the sub-microgauss level to above the Earth field. It is based on resonant nonlinear magneto-optical rotation caused by atoms…