Related papers: Bi-collinear antiferromagnetic order in the tetrag…
The electronic and magnetic properties of BaTi$_{2}$As$_{2}$O have been investigated using both the first-principles and analytical methods. The full-potential linearized augmented plane-wave calculations show that the most stable state is…
We argue that the centrosymmetric $C2/c$ symmetry in BiMnO$_3$ is spontaneously broken by antiferromagnetic (AFM) interactions existing in the system. The true symmetry is expected to be $Cc$, which is compatible with the noncollinear…
Superconductivity in BaFe2(As1-xPx)2 iron pnictides emerges when its in-plane two-dimensional (2D) orthorhombic lattice distortion associated with nematic phase at Ts and three-dimensional (3D) collinear antiferromagnetic (AF) order at TN…
The tetragonal compound YbRu$_{2}$Ge$_{2}$ exhibits a non-magnetic transition at $T_0$=10.2K and a magnetic transition at $T_1$=6.5K in zero magnetic field. We present a model for this material based on a quasi-quartet of Yb$^{3+}$…
The ground state of bilayer graphene is investigated by the density functional calculations with local spin density approximation. We find a ground state with layer antiferromagnetic ordering, which has been suggested by former studies…
Yb(Rh1-xCox)2Si2 is a model system to address two challenging problems in the field of strongly correlated electron systems: The first is the intriguing competition between ferromagnetic (FM) and antiferromagnetic (AFM) order when…
Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain…
We use first-principles density functional theory-based calculations to investigate structural instabilities in the high symmetry cubic perovskite structure of rare-earth (R $=$ La, Y, Lu) and Bi-based biferroic chromites, focusing on…
Incommensurate antiferromangetic (AFM) order in the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconductor is investigated on the basis of the Ginzburg-Landau theory. We formulate the two component Ginzburg-Landau model to discuss two…
It is theoretically shown that, in the four-fold symmetric d-wave superconducting phase, a paramagnetic pair-breaking (PPB) enhanced sufficiently by increasing the applied magnetic field induces not only the Fulde-Ferrell-Larkin-Ovchinnikov…
Neutron diffraction and high-resolution x-ray diffraction studies find that, similar to the closely related underdoped Ba(Fe[1-x]Cox)2As2 superconducting compounds, Ba(Fe0.961Rh0.039)2As2 shows strong evidence of competition and coexistence…
In a multiorbital model of the cuprate high-temperature superconductors soft antiferromagnetic (AF) modes are assumed to reconstruct the Fermi surface to form nodal pockets. The subsequent charge ordering transition leads to a phase with a…
Using Monte Carlo simulations, we study the critical behavior of two models of frustrated XY antiferromagnets with a collinear spin ordering and with an additional twofold degeneracy of the ground state. We consider a classic…
We investigate the interplay between charge order and superconductivity near an antiferromagnetic quantum critical point using sign-problem-free Quantum Monte Carlo simulations. We establish that, when the electronic dispersion is…
State-of-the-art quantum chemical methods are applied to the study of the multiorbital correlated electronic structure of a Fe-As compound, the recently discovered LiFeAs. Our calculations predict a high-spin, S=2, ground-state…
An antiferro-magnetic (AF) low moment solution, 0.4 $\mu_\mathrm{B}$/Fe, is found in the case of LaOFeAs for an intermediately strong Coulomb interaction $U$ of 2.5--3.0 eV. This solution is stabilized over a large moment solution due to…
In matter, any spontaneous symmetry breaking induces a phase transition characterized by an order parameter, such as the magnetization vector in ferromagnets, or a macroscopic many-electron wave-function in superconductors. Phase…
Recent neutron scattering experiments addressing the magnetic state of the two-leg ladder selenide compound BaFe$_2$Se$_3$ have unveiled a dominant spin arrangement involving ferromagnetically ordered 2$\times$2 iron-superblocks, that are…
We study a two-dimensional (2D) spin-half Heisenberg model related to the quasi 2D antiferromagnets (Ba,Sr)2Cu3O4Cl2 by means of exact diagonalization and spin-wave theory. The model consists of two inequivalent interpenetrating…
We set forth the structural and magnetic properties of the frustrated spin-$5/2$ triangle lattice antiferromagnet Na$_3$Fe(PO$_4$)$_2$ examined via x-ray diffraction, magnetization, heat capacity, and neutron diffraction measurements on the…