Related papers: Octahedral rotation instability in Ba$_2$IrO$_4$
We develop an unrestricted Hartree-Fock mean-field method including Coulomb repulsion $U$, $V$ and spin-orbital coupling $\lambda$ self-consistently to investigate the mechanism of structural instability and magnetic ordering in…
The instability and periodic deformation of bilayer membranes during freezing processes are studied as a function of the difference of the shape energy between the high and the low temperature membrane states. It is shown that there exists…
We report experimental observations of an undulational instability of myelin figures. Motivated by this, we examine theoretically the deformation and possible instability of concentric, cylindrical, multi-lamellar membrane structures. Under…
Spherical stellar systems have weakly-damped response modes. The dipole modes are seiche modes. The quadrupole are zero pattern-speed prolate modes, the stable precursors to the radial-orbit instability (ROI). We demonstrate that small…
The vibrational modes in Sr$_2$RuO$_4$ easily induce octahedral rotations without tilting. Being on the verge of a magnetic instability, such propensity of octahedral rotation may also produce magnetic fluctuations. In this work, we analyze…
We report the results of elastic neutron scattering measurements performed on 1/8-hole doped La$_{1.875}$Ba$_{0.125-x}$Sr$_{x}$CuO$_{4}$ single crystals with {\it x}=0.05, 0.06, 0.075 and 0.085. In the low-temperature less-orthorhombic…
We use density-functional theory with the local-density approximation to study the structural and ferroelectric properties of SrTiO$_3$ under misfit strains. Both the antiferrodistortive (AFD) and ferroelectric (FE) instabilities are…
Thermodynamic experiments as well as Raman scattering have been used to study the magnetic instabilities in the spin-tetrahedra systems Cu_2Te_2O_5X_2, X=Cl and Br. While the phase transition observed in the Cl system at T_o=18.2 K is…
Despite being successfully synthesized [Zhang $et$ $al.$, Nat. Mater. \textbf{20}, 1073 (2021)], the monolayer structure of stable hexagonal TiO$_2$ is unknown, and it is not even clear whether it can exist in a freestanding form. Through…
The octahedron tilt transitions of ABX_3 perovskite-structure materials lead to an anti-polar (or antiferroelectric) arrangement of dipoles, with the low temperature structure having six sublattices polarized along various crystallographic…
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combining high- resolution angle resolved photoemission…
A comprehensive study of the behavior of the Mott insulator Ca_2RuO_4 under electrical current drive is performed by combining two experimental probes: the macroscopic electrical transport and the microscopic X-Ray diffraction. The…
Intersecting branes have been the subject of string model building for several years. This work introduces in detail the toroidal and Z_N-orientifolds, where the main discussion employs the picture of intersecting D6-branes. The derivation…
More than 100 excited states of the Calcium-40 nucleus, with isospin 0, are classified into rotational-vibrational bands of an intrinsic tetrahedral structure. Almost all observed states below 8 MeV can be accommodated, as well as many…
A reinterpretation of the complete energy spectrum of the Oxygen-16 nucleus up to 20 MeV, and partly beyond, is proposed. The underlying intrinsic shape of the nucleus is tetrahedral, as in the na\"ive alpha-particle model and other cluster…
The competitions between ferroelectric and rotational instabilities in rhombohedral PZT near x = 0.5 are investigated using first principles density functional supercell calculations. As expected, we find a strong ferroelectric instability.…
The phase stability of the MgMn2O4 spinel has been studied by means of high-pressure X-ray diffraction for pressures up to 30 GPa. Two samples with different inversion degrees have been considered. Both spinels undergo a phase transition…
On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhombic and tetragonal phases of Ca3Mn2O7 were investigated and…
The prototypical antiferroelectric PbZrO$_3$ has several unsettled questions, such as the nature of the antiferroelectric transition, possible intermediate phase and the microscopic origin of the Pbam ground state. Using first principles,…
Centrifugal instability, which stems from a difference between the azimuthal angular drift velocity of ions and electrons, is studied in the limit of fast rotation for which ions can rotate up to twice as fast as electrons. As the angular…