Related papers: Low-temperature orientational order and possible d…
On the quest for efficient thermoelectrics, semiconducting behavior is a targeted property. Yet, this is often difficult to achieve due to the complex interplay between electronic structure, temperature, and disorder. We find this to be the…
Ni3V2O8 and Co3V2O8 have spin-1 and spin-3/2 magnetic lattices that are a new anisotropic variant of the Kagome net, wherein edge-sharing MO6 octahedra form the rises and rungs of a "Kagome staircase". The anisotropy largely relieves the…
Jarosite family compounds, KFe_3(OH)_6(SO_4)_2, (abbreviate Fe jarosite), and KCr_3(OH)_6(SO_4)_2, (Cr jarosite), are typical examples of the Heisenberg antiferromagnet on the kagome lattice and have been investigated by means of…
Epitaxial La3/4Ca1/4MnO3/MgO(100) (LCMO) thin films show unusual rhombohedral (R-3c) structure with a new perovskite superstructure due to unique ordering of La and Ca at the A-site positions. Very sharp insulator-metal and…
The hexagonal polymorph of Ba$_3$Tb(BO$_3$)$_3$ contains Tb$^{3+}$ ions on a quasi-2D triangular lattice, resulting in geometric magnetic frustration. Powder samples of Ba$_3$Tb(BO$_3$)$_3$ have been investigated using specific heat, powder…
The electron-conduction properties of fullerene chains are examined by first-principles calculations based on the density functional theory. The conductivity of the C$_{60}$ dimer is low owing to the constraint of the junction of the…
We study the zero-temperature crystalline structure of baby Skyrmions by applying a full-field numerical minimization algorithm to baby Skyrmions placed inside different parallelogramic unit-cells and imposing periodic boundary conditions.…
We present an extensive powder and single-crystal neutron scattering investigation of the crystallographic structure and magnetic order of the frustrated metallic $f$-electron magnet UNi$_4$B. We carry out a full refinement of the…
The Cellular Potts model, also known as the Glazier-Graner-Hogeweg model, is a lattice-based approach by which biological tissues at the level of individual cells can be numerically studied. Traditionally, a square or hexagonal underlying…
An investigation of the structural, magnetic, thermodynamic, and charge transport properties of non-centrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic…
The kagome lattice, with its inherent frustration, hosts a plethora of exotic phenomena, including the emergence of $3\mathbf{q}$ charge density wave order. The high rotational symmetry, required to realize such an unconventional charge…
Triangular-lattice systems host a variety of ground states, ranging from quantum spin liquids to magnetically ordered phases, the latter of which can exhibit a sequence of magnetic phase transitions under applied magnetic fields. Here, we…
We study the $S = 1$ triangular lattice Ising antiferromagnet by Monte Carlo simulations. Frustrations between a major antiferromagnetic third-neighbor interaction $J_3$ and a minor ferromagnetic nearest-neighbor interaction $J_1$ cause…
We numerically study orders of planer type $(xy,x^2-y^2)$ quadrupoles on a triangular lattice with nearest-neighbor isotropic $J$ and anisotropic $K$ interactions. This type of quadrupoles possesses unique single-ion anisotropy proportional…
Antiferromagnetic (AF) order of U$_{2}$Pt$_{6}$Ga$_{15}$ with the ordering temperature $T_{\rm N}$ = 26 K was investigated by resonant X-ray scattering and neutron diffraction on single crystals. This compound possesses a unique crystal…
Two-leg spin-$\frac12$ ladders with anisotropy and two different dimerization patterns are analyzed at zero temperature. This model is equivalent to a modulated interacting (Kitaev) ladder. The Hartree-Fock mean-field approximation reduces…
The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a non-metallic ground state. We study the paramagnetic state of this phase using first-principles…
The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a non-metallic ground state. We study the paramagnetic state of this phase using first-principles…
Thermoelastic phenomena associated with orientational phase transition in solid C60 are considered. Coupling of the order parameter with elastic strain is analyzed in the Landau theory of phase transitions. Wide range of possible…
The ground state of the simple Heisenberg nearest-neighbor quantum kagome antiferromagnetic model is a magnetically disordered spin liquid, yet various perturbations may lead to fundamentally different states. Here we disclose the origin of…