相关论文: Atomic displacements in the "charge-ice" pyrochlor…
A true understanding of the properties of pnictide superconductors require the development of high-quality materials and performing measurements designed to unravel their intrinsic properties and short-range nematic correlations which are…
The Ho2Ti2O7, Er2Ti2O7 and Yb2Ti2O7 pyrochlores were studied by synchrotron X-ray diffraction to determine whether the (002) peak, forbidden in the pyrochlore space group Fd-3m but observed in single crystal neutron scattering measurements,…
The dipolar-octupolar (DO) pyrochlores, R$_2$M$_2$O$_7$ (R = Ce, Sm, Nd), are key players in the search for realizable novel quantum spin liquid (QSL) states as a large parameter space within the DO pyrochlore phase diagram is theorized to…
We generalize, and then use, a recently introduced formalism to study thermal fluctuations of atomic displacements in several two and three dimensional crystals. We study both close packed as well as open crystals with multi atom bases.…
We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…
There are reasons to believe that the ground state of the magnetic rare earth pyrochlore Yb$_2$Ti$_2$O$_7$ is on the boundary between competing ground states. We have carried out $\mathrm{\textit{ab initio}}$ density functional calculations…
Understanding the extent and role of inhomogeneity is a pivotal challenge in the physics of cuprate superconductors. While it is known that structural and electronic inhomogeneity is prevalent in the cuprates, it has proven difficult to…
We performed neutron powder diffraction measurements on (Bi$_{0.5}$Na$_{0.5+x}$)TiO$_3$ and (Bi$_{0.5+y}$Na$_{0.5}$)TiO$_3$ to study structural evolution induced by the non-stoichiometry. Despite the non-stoichiometry, the local structure…
Neutron scattering investigations were carried out in PbMg$_{1/3}$Ta$_{2/3}$O$_3$ and BaMg$_{1/3}$Ta$_{2/3}$O$_3$ complex perovskites. The crystal structure of both compounds does not show any phase transition in the temperature range 1.5…
Small displacement methods have been successfully used to calculate the lattice dynamical properties of crystals. It involves displacing atoms by a small amount in order to calculate the induced forces on all atoms in a supercell for the…
We investigate the crystal structure in multiferroic tetragonal perovskite Sr$_{1/2}$Ba$_{1/2}$MnO$_3$ with high accuracy of the order of 10$^{-3}$ Angstrom for an atomic displacement. The large atomic displacement for Mn ion from the…
We show that the neutron scattering spectra observed in CaFe$_2$As$_2$ by Zhao et al (arXiv:0903.2686v1) and the highly unusual spatially anisotropic exchange constants in the iron pnictides derived by Han et al (Phys. Rev. Lett. 102,…
Inelastic neutron scattering provides a probe for studying the spin and momentum structure of the superconducting gap. Here, using a two-orbital model for the Fe-pnicitide superconductors and an RPA-BCS approximation for the dynamic spin…
Unusually large spontaneous and piezoelectric fields in the III-V nitrides have led to the making of an entirely new class of two-dimensional electron gas. Fluctuation from a perfectly periodic binary structure in highly polar semiconductor…
Traditionally, X-ray scattering techniques have been used to detect the breaking of the structural symmetry of the lattice, which accompanies a periodic displacement of the atoms associated with charge density wave (CDW) formation in the…
Single crystal inelastic neutron scattering is used to study spin wave excitations in the fully polarized state of the frustrated quantum ferro-antiferromagnet BaCdVO(PO$_4$)$_2$. The data analysis is based on a Heisenberg spin Hamiltonian…
We employ the previously published neutron scattering experiments\cite{1,2,3} to suggest that Er$_2$Ti$_2$O$_7$ has a broken-symmetry multiple-{\bf q} state with tetragonal magnetic symmetry\cite{4}. The ordered moments do not appear to lie…
We present the first systematic nonlocal dispersive optical model analysis using both bound-state and scattering data of $^{16,18}$O, $^{40,48}$Ca, $^{58,64}$Ni, $^{112,124}$Sn, and $^{208}$Pb. In all systems, roughly half the total nuclear…
In the pyrochlore compounds, Tb$_2$Ti$_2$O$_7$ and Tb$_2$Sn$_2$O$_7$, only the Tb$^{3+}$ ions are magnetic. They exhibit quite abnormal -- and, in view of their chemical similarity, strikingly different -- magnetic behaviour, as probed by…
Pyrochlore dielectric materials such as (Bi$_{1.5}$Zn$_{0.5}$)(Nb$_{1.5}$Zn$_{0.5}$)O$_7$ (BZN) have generated interest because they combine high dielectric constants with small dielectric loss tangents and yet are cubic at all…