Related papers: Local structure and its implications for the relax…
The relationship between the molecular structure and the formation of the NTB phase is still at an early stage of development. This is mainly related to molecular geometry, while the correlation between the NTB phase and the electronic…
The dynamics of a soft sphere model glass, studied by molecular dynamics, is investigated. The vibrational density of states divided by $\omega^2$ shows a pronounced boson peak. Its shape is in agreement with the universal form derived for…
It is shown that both structural phase transitions in Cd2Re2O7, which occur at T_{s1}=200 K and T_{s2}=120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode.…
It is argued that the main characteristic features of displacive relaxor ferrolectrics of the form ${\rm{A(B,B')}\rm{O}}_3$ with isovalent ${\rm{B,B'}}$ can be explained and understood in terms of a soft-pseudospin analogue of conventional…
In this paper, we present a microscopic model for heterogeneous ferroelectric and an order parameter for relaxor phase. We write a Landau theory based on this model and its application to ferroelectric PbFe$_{1/2}$Ta$_{1/2}$O$_3$ (PFT) and…
Analysis of the spatial dependence of current-voltage characteristics obtained from scanning tunneling microscopy experiments indicates that the charge density wave (CDW) occurring in NbSe$_2$ is subject to locally strong pinning by a…
We present a systematic study of the structure and lattice dynamics at room temperature, and the phonon behavior at low temperatures in orthorhombic Gd$_{1-x}$Y$_{x}$MnO$_{3}$ manganites, with 0 $\leq$ x $\leq$ 0.4, using powder x-ray…
It is now well established theoretically and experimentally that a moir\'e pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new…
Based on the {\it ab-initio} band structure for Na$_x$CoO$_2$ we derive the single-electron energies and the effective tight-binding description for the $t_{2g}$ bands using projection procedure. Due to the presence of the…
The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid state concepts. Using the combination of density functional theory and dynamical mean-field…
We study metastability and nucleation for the Blume-Capel model: a ferromagnetic nearest neighbour two-dimensional lattice system with spin variables taking values in -1,0,+1. We consider large but finite volume, small fixed magnetic field…
Unstable zone-boundary phonon modes drive atomic displacements linked to a rich array of properties. Yet, the electronic origin of the instability remains to be clearly explained. Here, we propose that bonding interaction between Bloch…
The Bloom-Gilman local duality of the inelastic structure function of the proton, the deuteron and light complex nuclei is investigated using available experimental data in the squared four-momentum transfer range from 0.3 to 5 (GeV/c)**2.…
We study, via computer simulations, the fluctuations in the net electric charge, in a two dimensional one component plasma (OCP) with uniform background charge density $-e \rho$, in a region $\Lambda$ inside a much larger overall neutral…
$\gamma$-triclinic and $\alpha$-monoclinic polymorphs of CoV$_{2}$O$_{6}$ are two of the few known transition metal ion based materials that display stepped $1/3$ magnetization plateaus at low temperatures. Neutron diffraction [M. Markkula…
Relaxor ferroelectrics, which can exhibit exceptional electromechanical coupling are some of the most important functional materials with applications ranging from ultrasound imaging to actuators and sensors in microelectromechanical…
The measured frequencies and intensities of different first- and second- order Raman peaks of suspended graphene are used to show that optical phonons and different acoustic phonon polarizations are driven out of local equilibrium inside a…
In this work, we use density functional theory (DFT) to investigate the structural and electronic properties of B$_7$Y$_2$ clusters -- boron frameworks doped with two yttrium atoms. Our results show that the most stable configuration adopts…
By studying the dielectric properties of the geometrically frustrated spinel CdV2O4, we observe ferroelectricity developing at the transition into the collinear antiferromagnetic ground state. In this multiferroic spinel, ferroelectricity…
A one-dimensional Bose-Einstein condensate may experience nonlinear periodic modulations known as "cnoidal waves". We argue that such structures represent promising candidates for the study of supersolidity-related phenomena in a…