相关论文: The spin gap in malachite Cu2(OH)2CO3 and its evol…

Distortions of the oxygen octahedra influence the fundamental electronic structure of perovskite oxides, such as their bandwidth and exchange interactions. Utilizing a fully ab-initio methodology based on density functional theory plus…

We study electronic and magnetic properties of the quasi-one-dimensional spin-1/2 magnet Ba3Cu3Sc4O12 with a distinct orthogonal connectivity of CuO4 plaquettes. An effective low-energy model taking into account spin-orbit coupling was…

The issue of the spin gap in the magnetic susceptibility $\chi''(q,\omega)$ in high T_c superconductors is discussed within a scenario of a mixture of localized tightly bound electron pairs in singlet states (bi-polarons) and itinerant…

We derive a spin-orbital Hamiltonian for a triangular lattice of e_g orbital degenerate (Ni^{3+}) transition metal ions interacting via 90 degree superexchange involving (O^{2-}) anions, taking into account the on-site Coulomb interactions…

The spin structure in a magnetic dot, which is an example of a quantum few-body system, is studied as a function of exchange coupling strength and dot size with in the semiclassical approximation on a discrete lattice. As the exchange…

The Dzyaloshinski-Moriya interaction partially lifts the magnetic frustration of the spin-1/2 oxide SrCu2(BO3)2. It explains the fine structure of the excited triplet state and its unusual magnetic field dependence, as observed in previous…

We have used time-of-flight inelastic neutron scattering to measure the spin wave spectrum of the canonical half-doped manganite Pr$_{0.5}$Ca$_{0.5}$MnO$_{3}$, in its magnetic and orbitally ordered phase. The data, which cover multiple…

The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…

Electronic and magnetic properties of molybdenum pyrochlores A2Mo2O7 are studied by the fully relativistic density-functional theory plus on-site repulsion (U) method, with focusing on the spin-glass insulating material Y2Mo2O7. We find…

This work is a sequel to our work "The Spin Density Matrix I: General Theory and Exact Master Equations" (eprint arXiv:0708.0644 [cond-mat]). Here we compare pure- and pseudo-spin dynamics using as an example a system of two quantum dots, a…

We study a one-dimensional antiferromagnetic-elastic model with magnetic ions having spin $S=3/2$. By extensive DMRG computations and complementary analytical methods, we uncover a first-order transition from a homogeneous or…

We show within a local self-consistent mean-field treatment that a random distribution of magnetic adatoms can open a robust gap in the electronic spectrum of graphene. The electronic gap results from the interplay between the nature of the…

The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…

The microscopic origin of ferromagnetism in correlated materials remains heavily debated, particularly for the competing mechanisms governing insulating versus metallic phases. In this work, we theoretically study the electronic structure…

Single-crystal neutron inelastic scattering was performed in order to investigate the magnetic excitations in the spin gap system TlCuCl$_3$. The constant-${\bf Q}$ energy scan profiles were collected in the $a^*-c^*$ plane. Three…

We reconsider magnetic properties of fcc and hcp cobalt within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using recently proposed approach of calculation of exchange…

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…

Dimerization of a spin-half Heisenberg antiferromagnet on a square lattice is investigated for several possible dimerized configurations, some of which are shown to have lower ground state energies than the others. In particular, the…

Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital (e.g. from the DMRG active space) participates…

Frustration-induced strong quantum fluctuations accompanied by spin-orbit coupling and crystal electric field can give rise to rich and diverse magnetic phenomena associated with unconventional low-energy excitations in rare-earth based…