Related papers: Modeling Ferro- and Antiferromagnetic Interactions…
Systems with strong electron-phonon couplings typically exhibit various forms of charge order, while strong electron-electron interactions lead to magnetism. We use determinant quantum Monte Carlo (DQMC) calculations to solve a model on a…
Organo-metallic molecular structures where a single metallic atom is embedded in the organic backbone are ideal systems to study the effect of strong correlations on their electronic structure. In this work we calculate the electronic and…
Structural, electronic, and magnetic properties of modified cubic spinel compound LiNi$_{0.5}$Mn$_{1.5}$O$_{4}$ are studied via x-ray diffraction, resistivity, DC and AC magnetization, heat capacity, neutron diffraction, $^7$Li nuclear…
The electronic structure, stability, electron phonon coupling and superconductivity of the non-oxide perovskite MgCNi$_3$ are studied using density functional calculations. The band structure is dominated by a Ni $d$ derived density of…
The spin-fermion (SF) model postulates that the dominant coupling between low-energy fermions in near critical metals is mediated by collective spin fluctuations (paramagnons) peaked at the N\'{e}el wave vector, ${\bf Q}_N$, connecting hot…
I show that for a \kappa-type organic (BEDT-TTF)_2-X molecular crystal, a superconducting state with T_c ~ 10 K and gap nodes on the Fermi surface can be caused by short-ranged antiferromagnetic spin fluctuations. Using a two-band…
We study the formation of ferromagnetic and magnetic polaron states in weakly doped heterobilayer transition metal dichalcogenides in the ``heavy fermion'' limit in which one layer hosts a dense set of local moments and the other hosts a…
Microscopic origin of the ferromagnetic (FM) exchange coupling in CrCl$_3$ and CrI$_3$, their common aspects and differences, are investigated on the basis of density functional theory combined with realistic modeling approach for the…
Hexagonal HoMnO$_{3}$ is a frustrated antiferromagnet (T$_{N}$=72 K) ferroelectric (T$_{C}$=875 K) in which these two order parameters are coupled. Our neutron measurements of the spin wave dispersion for the S=2 Mn$^{3+}$ on the layered…
Exchange interactions between isolated pairs of spin centers in diamond have been calculated, based on an accurate atomistic electronic structure for diamond and any impurity atoms, for spin-center separations up to 2~nm. The exchange…
We consider mechanism of exchange coupling based on interaction between electrons in nonmagnetic layer. Depending on ratio of inverse time of diffusion of electrons between ferromagnetic layers and ferromagnetic splitting of conducting…
We compute transport and thermodynamic properties of a two-band spin-fermion model describing itinerant fermions in two dimensions interacting via $Z_2$ antiferromagnetic quantum critical fluctuations by means of a sign-problem-free quantum…
The Fe intercalated transition metal dichalcogenide (TMD), Fe$_{1/3}$NbS$_2$, exhibits remarkable resistance switching properties and highly tunable spin ordering phases due to magnetic defects. We conduct synchrotron X-ray scattering…
Spin torques in magnetic multilayers are produced by spin polarization $P$ of ferromagnetic (F) layers, and increase with growing $P$. The latter, however, cannot exceed the $P=1$ value found in half metals. We study the $P=1$ case to find…
We perform magnetic susceptibility and magnetic torque measurements on the organic $\kappa$-(BEDT-TTF)$_2$Hg(SCN)$_2$Br, which is recently suggested to host an exotic quantum dipole-liquid in its low-temperature insulating phase. Below the…
Carrier-induced ferromagnetism has been observed in several (III,Mn)V semiconductors. We review the theoretical picture of these ferromagnetic semiconductors that emerges from a model with kinetic-exchange coupling between localized Mn…
The spin reorientation (SR) phenomenon of the square-lattice antiferromagnets RMnAsO (R = Ce, Nd) was investigated by analyzing the spin exchange interactions between the rare-earth and transition-metal ions (R3+ and Mn2+, respectively) on…
Correlations between the localized and conductive spins/charges have been the central issue of various fascinating quantum phenomena found on itinerant electron systems. Here, the obvious multiplet structures are presented on the Mn 2$p$ to…
Motivated by recent experimental studies on superconductivity found in nickelate-based materials, we study the temperature dependence of the spin correlation and the superconducting pairing interaction within an effective two-band Hubbard…
We propose and investigate the properties of a digital ferromagnetic heterostructure (DFH) consisting of a $\delta$-doped layer of Mn in Si, using \textit{ab initio} electronic-structure methods. We find that (i) ferromagnetic order of the…