相关论文: Third order dielectric susceptibility in a model q…
In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d$^1$ $J_{eff}=\frac{3}{2}$ spin-orbit coupled double perovskite $\rm Ba_2NaOsO_6$ using first…
The origin of non-collinear magnetic order in UO$_{2}$ is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating inter-site superexchange interactions between U 5$f^{2}$…
The synthesis and physical properties of the double perovskite (DP) compound Ba2CdReO6 with the 5d1 electronic configuration are reported. Three successive phases originating from a spin-orbit-entangled Jeff = 3/2 state, confirmed by the…
Dipole interaction in the triplet superconductivity is studied. If the Cooper pairs are formed by the electrons at $\mib{r}$ and $\mib{r}+(\pm\frac{a}{2},\pm\frac{a}{2},\pm\frac{c}{2})$ in the body centered tetragonal lattice, (in this case…
We performed ultrasonic measurement on the rare-earth intermetallic compound PrInAg_2 to examine the quadrupolar Kondo effect associated with the non-Kramers Gamma_3 doublet ground state. The characteristic softening of the elastic constant…
We evaluate the transverse momentum spectrum of J/Psi (up to semi-hard momenta) in pA and AA collisions taking into account only the initial state effects, but resumming them to all orders in \alpha_s^2 A^{1/3}. In our previous papers we…
We characterize perovskite TiF_3, a material which displays significant negative thermal expansion at elevated temperatures above its cubic-to-rhombohedral structural phase transition at 330 K. We find the optical response favors an…
We report the emergence of a transverse dielectric response in PbTiO$_{3}$/SrTiO$_{3}$ superlattices hosting polar vortex structures. Using second-principles simulations, we find that an electric field applied along one direction induces…
We investigate the spin-$\frac{1}{2}$ nearest-neighber Heisenberg model with the four-site ring-exchange $J_4$ and chiral interaction $J_\chi$ on the triangular lattice by using the variational Monte Carlo method. The $J_4$ term induces the…
Despite important breakthroughs in the last decade, the calculation of temperature dependent properties of solids still remains a challenging task, especially in the vicinity of structural phase transitions. We show that the combination of…
Here a recently observed weak first order transition in doped SrTiO3 is argued to be a consequence of the coupling between strain and order parameter fluctuations. Starting with a semi-microscopic action, and using renormalization group…
We study the quantum spin-1/2 Heisenberg model in two dimensions, interacting through a nearest-neighbor antiferromagnetic exchange ($J$) and a ferromagnetic dipolar-like interaction ($J_d$), using double-time Green's function, decoupled…
A method for the calculation of the temperature dependence of dielectric and piezoelectric responses, based on the use of a first-principles effective Hamiltonian, is described. Results are presented for the ferroelectric perovskite PbTiO3.…
Nuclear quadrupole interactions were measured at 111In/Cd probe atoms in rare-earth palladium phases RPd3 having the L12 structure using the technique of perturbed angular correlation of gamma rays (PAC). Measurements were made for pairs of…
We consider a 2D electron system on a square lattice with hopping beyond nearest neighbors. The existence of the quantum critical point associated with an electronic topological transition in the noninteracting system results in density…
Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…
We investigate effects of multipole moments in f-electron systems both from phenomenological and microscopic viewpoints. First, we discuss significant effects of octupole moment on the magnetic susceptibility in a paramagnetic phase. It is…
The functionality of ferroelectrics is often constrained by their Curie temperature, above which depolarization occurs. Lithium (Li) is the only experimentally known substitute that can increase the Curie temperature in ferroelectric…
We have developed first-principles models, based on a general parametrization of the full potential-energy surface, to investigate the lattice-dynamical properties of perovskite oxides. We discuss the application of our method to prototypic…
A fully ab initio scheme based on quantum chemical wavefunction methods is used to investigate the correlated multiorbital electronic structure of a 3d-metal compound, LaCoO3. The strong short-range electron correlations, involving both Co…