Related papers: Jahn-Teller Effect for Controlling Quantum Correla…
We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and non-collinearity of intra--atomic magnetization. The LDA+U method is used and its…
We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and non-collinearity of intra-atomic magnetization. The LDA+U method is used and its equivalence…
Ground state of the quantum Jahn-Teller model with broken rotational symmetry was investigated by the variational approach in two cases: a lattice and a local ones. Both cases differ by the way of accounting for the nonlinearity hidden in…
Roles of orbital and lattice degrees of freedom in strongly correlated systems are investigated to understand electronic properties of perovskite Mn oxides such as La_{1-x}Sr_{x}MnO_{3}. An extended double-exchange model containing Coulomb…
The Heisenberg model on a triangular lattice is a prime example for a geometrically frustrated spin system. However most experimentally accessible compounds have spatially anisotropic exchange interactions. As a function of this anisotropy,…
The effect of three-spin interaction k on thermal entanglement between alternate qubits is studied using pairwise concurrence C and energy level diagram. It is found that k breaks the symmetry about the effect of magnetic field h on C. It…
The properties of a system of charged particles on a 2D lattice, subject to an anisotropic Jahn-Teller-type interaction and 3D Coulomb repulsion are investigated. In the mean-field approximation without Coulomb interaction, the system…
Using a Hartree-Fock mesh method and a configuration interaction approach based on a generalized Gaussian basis set we investigate the behaviour of the exchange and correlation energies of small atoms and molecules, namely th e helium and…
This study examines the increasing complexity in the magnetic properties of small $n$ = 3, 4, 5, 6 spin-1/2 quantum rings. Using an exact diagonalization of the isotropic Heisenberg Hamiltonian with nearest and next-nearest neighbor…
Among the quasi-2D van der Waals magnetic systems, Fe4GeTe2 imprints a profound impact due to its near-room temperature ferromagnetic behaviour and the complex magnetothermal phase diagram exhibiting multiple phase transformations, as…
In the framework of the model of the polar singlet-triplet Jahn-Teller centers the cross-section is obtained for magnetic neutron scattering in high-$T_{c}$ cuprates. Multi-mode character of the $CuO_{4}$ cluster ground manifold in the new…
We investigate the origin of the orbital ordering in the paramagnetic phase of KCrF$_3$. All previous studies described structural parameters of the paramagnetic phase using a magnetic ordering in the compound. Our simulations of real…
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic…
Magnetoelasticity plays a crucial role in numerous magnetic phenomena, including magnetocalorics, magnon excitation via acoustic waves, and ultrafast demagnetization/Einstein-de Haas effect. Despite a long-standing discussion on…
We argue that the unusual properties of a wide class of materials based on Jahn-Teller 3d and 4d ions with different crystal and electronic structures, from quasi-two-dimensional unconventional superconductors (cuprates, nickelates,…
Recent magnetic susceptibility measurements for polycrystalline samples of binuclear nitrosyl iron complexes [Fe_2(C_3H_3N_2S)_2(NO)_4] (I) and [Fe_2(SC_3H_5N_2)_2(NO)_4] (II), suggest that quantum-mechanical entanglement of the spin…
We investigate the entanglement properties in semiconductor quantum dot systems modeled by extended Hubbard model, focusing on the impact of potential energy variations and electron interactions within a four-site quantum dot spin chain.…
The bound state in the system of three protons and an electron (pppe) under a homogeneous strong magnetic field where the protons are situated in the vertices of an equilateral triangle perpendicular to the magnetic field lines is found. It…
We observe two consecutive transitions in La1-xCaxMnO3, x=0.19: ferromagnetic ordering at Tc = 177 K and Jahn-Teller orbital ordering at T_JT = 150 K. The presence of a ferromagnetic insulating state below T_JT shows that the metallic phase…
The electronic and magnetic properties of the hexanuclear ferric wheel [LiFe6(OCH3)12-(dbm)6]PF6 have been studied with all-electron Hartree-Fock and full-potential density functional calculations. The best agreement for the magnetic…