Related papers: Magnetic coupling in CoCr_2O_4 and MnCr_2O_4: an L…
We determined the magnetic structure of CuCr$_2$O$_4$ using neutron diffraction and irreducible representation analysis. The measurements identified a new phase between 155 K and 125 K as nearly collinear magnetic ordering in the Cr…
A general reformulation of the exchange energy of $5f$-shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. The calculations are performed in an efficient scheme with…
Capturing the non-collinear magnetic ground state of the spinel vanadates AV$_2$O$_4$ (A= Mn, Fe and Co) remains an outstanding challenge for state-of-the-art ab-initio methods. We demonstrate that both the non-collinear spin texture, as…
A key parameter for the low-temperature magnetic coupling of in dinuclear lanthanide single-molecule magnets (SMMs) is the barrier $U_{FA}$ resulting from the exchange and dipole interactions between the two $4f$ moments. Here we extend the…
Electronic structure of bcc Np, fcc Pu, Am, and Cm pure metals under pressure has been investigated employing the LDA+U method with spin-orbit coupling (LDA+U+SO). Magnetic state of the actinide ions was analyzed in both LS and jj coupling…
We present muon spin rotation and relaxation ($\mu$SR) results for chalcogenide spinels CuCr$_2$X$_4$ with X= S and Se. Both compounds are known as ferromagnetic metals with high Curie temperatures. Our $\mu$SR and magnetization data show…
Spin-mechanical coupling is vital in diverse fields including spintronics, sensing and quantum transduction. Two-dimensional (2D) magnetic materials provide a unique platform for investigating spin-mechanical coupling, attributed to their…
The origin of magnetic anisotropy in magnetic compounds is a longstanding issue in solid state physics and nonmagnetic ligand ions are considered to contribute little to magnetic anisotropy. Here, we introduce the concept of ligand driven…
High transverse magnetic field and zero field muon spin rotation and relaxation measurements have been carried out in a lightly oxygen-doped high-Tc parent compound La2CuO4 in a temperature range from 2 K to 300 K. As in the stoichiometric…
Motivated by recent experiments exploring the spin-orbit-coupled magnetism in $4d$- and $5d$-band transition metal oxides, we study magnetic interactions in Ir- and Rh-based compounds. In these systems, the comparable strength of spin-orbit…
Abundant phenomena in CoCr2-xMnxO4 (x = 0 ~ 2) samples such as magnetic compensation, magnetostriction and exchange bias effect have been observed and investigated in this work. A structure transition from cubic to tetragonal symmetry has…
In order to explore the consequences of spin-orbit coupling on spin-phonon interactions in a set of chemically-similar mixed metal oxides, we measured the infrared vibrational properties of Co$_4B_2$O$_9$ ($B$ = Nb, Ta) as a function of…
Based on density functional calculation with LDA+U method, we propose that hypothetical Osmium compounds such as CaOs2O4 and SrOs2O4 can be stabilized in the geometrically frustrated spinel crystal structure. They also show some exotic…
Identifying and characterizing new magnetic systems with Co2+ ions can enhance our understanding of quantum behavior since Co2+ can host a pseudospin-1/2 magnetic ground state. Understanding the magnetic ground state and the phase diagrams…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…
We have demonstrated magnetodielectric (MD) coupling in an Ising-chain magnet Sr2Ca2CoMn2O9, via detailed investigation of ac susceptibility and dielectric constant as a function of temperature, magnetic field and frequency. Sr2Ca2CoMn2O9…
Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…
Based on density functional calculations, we present a detailed theoretical study of the electronic structure and the magnetic properties of the quasi-one dimensional chain cuprate Li_2ZrCuO_4 (Li_2CuZrO_4). For the relevant ratio of the…
The compounds A$_2$Cu$_3$O(SO$_4$)$_3$ (A=Na, K) are characterized by copper hexamers which are weakly coupled to realize antiferromagnetic order below TN=3 K. They constitute novel quantum spin systems with S=1 triplet ground-states. We…
Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic…