Related papers: Jahn-Teller Effect for Controlling Quantum Correla…
In low-temperature anti-ferromagnetic LaMnO$_{3}$, strong and localized electronic interactions among Mn 3d electrons prevent a satisfactory description from standard local density and generalized gradient approximations in density…
Magnetic exchange interactions (MEIs) in kagome magnets exhibit rich features due to the interplay of charge, spin, orbital and lattice degrees of freedom, giving rise to a variety of exotic quantum states. Through first-principles…
A suggestion is made for distinguishing 2N and 6q short range correlations within the deuteron. The suggestion depends upon observing high momentum backward nucleons emerging from inelastic electromagnetic scattering from a deuteron target.…
Fundamental flaws in the Heisenberg Hamiltonian are highlighted in the context of its application to BCC Fe, including the particular issues arising when modelling lattice defects. Exchange integrals are evaluated using the magnetic force…
We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co and Ni clusters deposited on Ir(111), Pt(111) and Au(111). For this a fully relativistic {\em ab-initio} scheme based on density…
A "minimal model" of the Kondo-lattice type is used to describe a competition between the localization and metallicity in doped manganites and related magnetic oxides with Jahn-Teller ions. It is shown that the number of itinerant charge…
We theoretically investigate the ground-state properties of a quantum dot defined on the surface of a strong three-dimensional time-reversal invariant topological insulator. Confinement is realized by ferromagnetic barriers and Coulomb…
The effect of hole doping on the exchange coupling of the nearest neighbor (NN) Mn pairs in Zn$_{1-x}$Mn$_x$Te is probed by inelastic neutron scattering. The difference in the NN exchange energy $\Delta J_1$ in the presence and in the…
The spin-1/2 Hamiltonian for two coupled isosceles Heisenberg triangles, which is well suited for describing the V$_6$-type magnetic molecules, is studied by exact diagonalization. The quantum phase transition diagram, at zero temperature,…
The exfoliation of layered magnetic materials generates atomically thin flakes characterized by an ultrahigh surface sensitivity, which makes their magnetic properties tunable via external stimuli, such as electrostatic gating and proximity…
The strongly constrained and appropriately normed (SCAN) semi-local functional for exchange-correlation is deployed to study the ground-state properties of ternary Heusler alloys transforming martensitically. The calculations are performed…
In this work, we have studied the chemical and magnetic interactions of Fe$_n$ ; n=1-6 clusters with vacancy defects (monovacancy to correlated vacancies with six missing C atoms) in a graphene sheet by ab-initio density functional…
A system comprising a $\Lambda$-type or V-type atom interacting with two radiation fields exhibits, during its dynamical evolution, interesting optical phenomena such as electromagnetically-induced transparency (EIT) and a variety of…
Motivated by theoretical and experimental studies reported by Yamaguchi et al. (Phys. Rev. B 98, 094402 (2018)), we performed a cluster mean-field analysis of an anisotropic Heisenberg model with six competing exchange interactions. We…
Using first-principles molecular dynamics, we study the influence of nuclear quantum effects (NQEs) and nonlocal exchange--correlation density functionals (DFs) near molecular dissociation in liquid hydrogen. NQEs strongly influence…
Ultrasound velocity measurements of cubic spinel GeCo$_2$O$_4$ in single crystal were performed for the investigation of shear and compression moduli. The shear moduli in the paramagnetic state reveal an absence of Jahn-Teller activity…
The electronic band structures, density of states plots and magnetic moments of Fe$_{2 }$MnSi, Fe$_{2 }$MnAl, and Co$_{2 }$MnGe are studied by using the first principles calculations. The FM solutions using LSDA without \textit{U} show the…
Theoretical studies on M$_{13}$ (M = Fe, Co, Ni) and M$_{13}$Pt$_n$ (for $n$ = 3, 4, 5, 20) clusters including the spin-orbit coupling are done using density functional theory. The magnetic anisotropy energy (MAE) along with the spin and…
Our measurements of the differential susceptibility dM/dH of the frustrated magnetic molecules Mo72Fe30 and Mo72Cr30 reveal a pronounced dependence on magnetic field (H) and temperature (T) in the low H - low T regime, contrary to the…
The magnetic and entanglement thermal (equilibrium) properties in spin-1/2 Ising-Heisenberg model on a triangulated Kagome lattice are analyzed by means of variational mean-field like treatment based on Gibbs-Bogoliubov inequality. Because…