Related papers: Magnetic Coupling Between Non-Magnetic Ions: Eu3+ …
The magnetic properties of the molecular cluster Mn12Ac are due to the four Mn3+ ions which have spins S=3/2 and the eight Mn4+ ions with spins S=2. These spins are coupled by superexchange mechanism. We determine the four exchange…
We present inelastic light scattering measurements of EuO and Eu$_{1-x}$La$_{x}$B$_6$ ($x$=0, 0.005, 0.01, 0.03, and 0.05) as functions of doping, B isotope, magnetic field, and temperature. Our results reveal a variety of distinct regimes…
The local environment of Eu$^{2+}$ ($4f^{7}$, $S=7/2$) in Ca$_{1-x}$Eu$_{x}$B$_{6}$ ($0.003\leqslant x\leqslant 1.00$) is investigated by means of electron spin resonance (ESR). For $x\lesssim 0.003$ the spectra show resolved \textit{fine}…
We investigate the magnetic interactions in Sr3NiPtO6, characterized to be a spin liquid using ab initio calculations. The results reveal a novel metal to insulator transition due to finite exchange interaction strength; the magnetic…
High-frequency electron paramagnetic resonance (EPR) studies of the antiferromagnetic Mn-$[3\times 3]$ molecular grid clearly reveal a breaking of the $\Delta S = 0$ selection rule, providing direct evidence for the mixing of spin…
High quality thin films of the ferromagnetic semiconductor EuO have been prepared and were studied using a new form of spin-resolved spectroscopy. We observed large changes in the electronic structure across the Curie and metal-insulator…
We have carried out temperature-dependent inelastic neutron scattering measurements of YMnO3 over the temperature range 50 - 1303 K, covering both the antiferromagnetic to paramagnetic transition (70 K), as well as the ferroelectric to…
A systematic microscopic theory of magnetically induced ferroelectricity and lattice modulation is presented for all electron configurations of Mott-insulating transition-metal oxides. Various mechanisms of polarization are identified in…
Magnetization curves of two rectangular metal-organic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that…
The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of…
Zintl phases, containing strongly covalently bonded frameworks with separate ionically bonded ions, have emerged as a critical materials family in which to couple magnetism and strong spin-orbit coupling to drive diverse topological phases…
A systematic density functional theory (DFT)+U study is conducted to investigate the electron correlation and spin-orbit coupling (SOC) effects in US3 and USe3. Our calculations reveal that inclusion of the U term is essential to get energy…
The crystal structure of hexagonal-Sr0.6Ba0.4MnO3 allows various competing superexchange interactions, leading to intriguing magnetic properties. Local structural changes modify overlapping between Mn and oxygen ions with temperature.…
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…
The low-temperature spin dynamics of the orthorhombic TbFeO$_3$ perovskite has been studied. It has been found that the inelastic neutron scattering (INS) spectrum contains two modes corresponding to different sublattices in the compound.…
Strong charge-spin coupling is found in a layered transition-metal trichalcogenide NiPS3, a van derWaals antiferromagnet, from our study of the electronic structure using several experimental and theoretical tools: spectroscopic…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…
Controlling electron spins strongly coupled to magnetic and nuclear spins in solid state systems is an important challenege in the field of spintronics and quantum computation. We show here that electron droplets with no net spin in…
The concept of spin symmetries has gained renewed interest as a valuable tool for classifying unconventional magnetic phases, including altermagnets and recently identified p-wave magnets. In this work, we show that in compounds with weak…
Using ab initio band structure and model calculations we studied magnetic properties of one of the Mn$_4$ molecular magnets (Mn4(hmp)6), where two types of the Mn ions exist: Mn3+ and Mn2+. The direct calculation of the exchange constants…