Related papers: Using hyper-optimized tensor networks and first-pr…
We examine electron transport through a single-molecule magnet Mn12 bridged between Au electrodes using the first-principles method. We find crucial features which were inaccessible in model Hamiltonian studies: spin filtering and a strong…
Multiscale simulation is a key research tool for the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to calculate the maximum possible coercive field and expected…
We present a method to compute the magnetic susceptibility of spin systems at all temperatures in one and two dimensions. It relies on an approximation of the entropy versus energy (microcanonical potential function) on the whole range of…
Magnetic force microscopy and scanning tunneling microscopy data could be used to test computer numerical models of magnetism. The elaborated numerical model of a face-centered lattice Ising spins is based on pixel distribution in the image…
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions…
A temperature dependent coherent magnetization reversal model is proposed for size-distributed assemblies of ferromagnetic nanoparticles and ferromagnetic-antiferromagnetic core-shell nanoparticles. The nanoparticles are assumed to be of…
We have studied the effects of momentum dependent interactions on the single-particle properties of hot asymmetric nuclear matter. In particular, the single-particle potential of protons and neutrons as well as the symmetry potential have…
The Ising model on a $restricted$ scale-free network (SFN) has been studied employing Monte Carlo simulations. This network is described by a power-law degree distribution in the form $P(k)~k^{-\alpha}$, and is called restricted, because…
With use of homogeneous model for magnetic sub-lattice of compound La1-x CaxMnO3 allowing for Heisenberg superexchange and double exchange between nearest neighbors the temperature dependence of spontaneous magnetization on a separate site…
The Hubbard model is a longstanding problem in the theory of strongly correlated electrons and a very active one in the experiments with ultracold fermionic atoms. Motivated by current and prospective quantum simulations, we apply a…
The difficulty to simulate the dynamics of open quantum systems resides in their coupling to many-body reservoirs with exponentially large Hilbert space. Applying a tensor network approach in the time domain, we demonstrate that effective…
For the 2D Ising model, we analyzed dependences of thermodynamic characteristics on number of spins by means of computer simulations. We compared experimental data obtained using the Fisher-Kasteleyn algorithm on a square lattice with…
By using band structure calculations of quantum mechanical theory, some important peaks of DoS (Density of States) were obtained and classified based on crystal structure laws of cuprate superconductivity. In particular, the orbital…
We use an exact numerical diagonalization method to calculate the dynamical spin structure factors (DSFs) of three ab-initio models and one ab-initio-guided model for a honeycomb-lattice magnet $\alpha$-RuCl$_3$. We also use thermal pure…
An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…
We argue that nuclear magnetic resonance experiments are a site-sensitive probe for the electronic spectrum in the mixed state of the high-$T_c$ cuprates. Within a spin-fermion model, we show that the Doppler-shifted electronic spectrum…
Our research highlights the effectiveness of utilizing matrices akin to Wishart matrices, derived from magnetization time series data under specific dynamics, to elucidate phase transitions and critical phenomena in the Q-state Potts model.…
Magnetic molecules, modelled as finite-size spin systems, are test-beds for quantum phenomena and could constitute key elements in future spintronics devices, long-lasting nanoscale memories or noise-resilient quantum computing platforms.…
In spin-transfer torque (STT) for technological applications, the miniaturization of the magnet may reach the stage of requiring a fully quantum-mechanical treatment. We present an STT theory which uses the quantum macrospin ground and…
We propose a detailed analysis of datasets generated from simulations of two-dimensional quantum spin systems using the quantum Ising model at absolute zero temperature. Our focus is on examining how fundamental physical properties, energy,…