Related papers: Charge transfer transitions and circular magnetoop…
Critical phenomena of ferromagnetic transition at finite temperatures are studied in double-exchange systems. In order to investigate strong interplay between charge and spin degrees of freedom, Monte Carlo technique is applied to include…
Charge transfer (CT) insulators are the parent phase of a large group of today's unconventional high-temperature superconductors. Here we study experimentally and theoretically the interband excitations of the CT insulator silver fluoride…
A major challenge in using spins in the solid state for quantum technologies is protecting them from sources of decoherence. This can be addressed, to varying degrees, by improving material purity or isotopic composition for example, or…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…
The macroscopic magnetizations of a RuSr2(Eu0.7Ce0.3)2Cu2O10+d sample were investigated. A ferromagnet-like transition occurs around T_M in the low-field magnetization. Highly nonlinear M(H), non-Curie-Weiss susceptibility, and slow…
Hexagonal ferrites do not only have enormous commercial impact ({\pounds}2 billion/year in sales) due to applications that include ultra-high density memories, credit card stripes, magnetic bar codes, small motors and low-loss microwave…
Energy transfer processes from a high-intensity ultrashort laser pulse to electrons in simple dielectrics, silicon, diamond, and $\alpha$-quartz are theoretically investigated by first-principles calculations based on time-dependent density…
Recent neutron scattering [1,2], and optical measurements [3,4] have detected evidence in underdoped cuprate superconductors for a phase transition near the pseudogap onset temperature T* to a time reversal-breaking state. The neutron…
The non-equilibrium tunnel transport processes are considered in a square lattice of metallic nanogranules embedded into insulating host. Based on a simple model with three possible charging states (+,-, or 0) of a granule and three kinetic…
The Mott transition in a multi-orbital Hubbard model involving subbands of different widths is studied within the dynamical mean field theory. Using the iterated perturbation theory for the quantum impurity problem it is shown that at low…
The interplay between spin and charge degrees of freedom in low-dimensional systems is a cornerstone of modern spintronics, where achieving all-electrical control of spin currents is a major goal. Spin-orbit interactions provide a promising…
Density functional theory (DFT) including van der Waals weak interaction in conjunction with the so called rotational invariant DFT+U, where $U$ is the Hubbard interaction of the iron site, is used to show that the fluorinated spin…
In the band theory of ferromagnetism there is a relative shift in the position of majority and minority spin bands due to the self-consistent field due to opposite spin electrons. In the simplest realization, the Stoner model, the majority…
Transition-metal compounds represent a fascinating playground for exploring the intricate relationship between structural distortions, electronic properties, and magnetic behaviour, holding significant promise for technological…
Charge transfer in superlattices consisting of SrIrO$_3$ and SrMnO$_3$ is investigated using density functional theory. Despite the nearly identical work function and non-polar interfaces between SrIrO$_3$ and SrMnO$_3$, rather large charge…
Photochemical reactions on semiconductors are anisotropic, since they occur with different rates on surfaces of different orientation. Understanding the origin of this anisotropy is crucial to engineering more efficient photocatalysts. In…
We study electromagnetic transition rates in the framework of the algebraic cluster model. The concept of shape-phase transitions is used to propose a mechanism that allows to have interband and intraband quadrupole transitions of…
The interactions between charge and orbitally ordered $d$-electrons are important in many transition metal oxides. We propose an effective energy model for such interactions, parameterized with DFT+U calculations, so that energy…
The influence of short-range Coulomb correlations on the Mott transition in the single-band Hubbard model at half-filling is studied within cellular dynamical mean field theory for square and triangular lattices. Finite-temperature exact…
We study the optical properties of small gold chains doped with different transition metal (TM) atoms (Ni,Rh,Fe) by using the time-dependent density-functional theory (TDDFT) approach. The optical absorption spectrum of such systems…