相关论文: Resolving the structure of TiBe$_{12}$

Cell deformability is an essential determinant for tissue-scale mechanical nature, such as fluidity and rigidity, and is thus crucial for understanding tissue homeostasis and stable developmental processes. However, numerical simulations…

Microtubules (MTs) are self-assembled hollow protein tubes playing important functions in live cells. Their building block is a protein called tubulin, which self-assembles in a particulate 2 dimensional lattice. We study the vibrational…

The vertex model is widely used to describe the dynamics of epithelial tissues, because of its simplicity and versatility and the direct inclusion of biophysical parameters. Here, it is shown that quite generally, when cells modify their…

The phase diagram of binary mixtures of particles interacting via a pair potential of parallel dipoles is computed at zero temperature as a function of composition and the ratio of their magnetic susceptibilities. Using lattice sums, a rich…

Development of topological insulating phases in IV-VI compounds under dynamic lattice deformations is studied using first-principles methods. Unlike the static state of topological phases at equilibrium conditions, we show that non-trivial…

Hubbard-type models on the hexagonal lattice are of great interest, as they provide realistic descriptions of graphene and other related materials. Hybrid Monte Carlo simulations offer a first-principles approach to study their phase…

Thermodynamic and electronic properties are obtained for a lattice-gas model fluid with self-consistent, partial, occupation of its sites; the self consistency consists in obtaining ionic configurations from grand-canonical Monte Carlo…

In liquid crystals, if flexoelectric couplings between polar order and director gradients are strong enough, the uniform nematic phase can become unstable to formation of a modulated polar phase. Previous theories have predicted two types…

The Bi12.5Nd1.5ReO24.5 tetragonal phase has been synthesized and lattice cell parameters have been determined. According to X-ray data the phase has I4/m sym-metry with lattice parameters a = 0.86742 (12) nm, c =1.7408 (3) nm.

We use the classical version of the density-functional theory in the weighted-density approximation to build up the entire phase diagram and the interface structure of a two-dimensional lattice-gas model which is known, from previous…

It is shown that a quasi two dimensional (layered) Heisenberg antiferromagnet with fully frustrated interplane couplings ({\it e.g.} on a body-centered tetragonal lattice) generically exhibits two thermal phase transitions with lowering…

Dielectric tensor and lattice dynamics of alpha-PbO2-type TiO2 have been investigated using the density functional perturbation theory, with a focus on responses of the vibrational frequencies to pressure. The calculated Raman spectra under…

Nb-Ru is a high temperature shape memory alloy that undergoes a Martensitic transformation from a parent cubic b-phase into a tetragonal b' phase at TM 900 C. Measurements of the phonon dispersion curves show that the [110]-TA2 phonon…

There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature…

We present a Raman scattering study of Ca$_2$RuO$_4$, in which we investigate the temperature-dependence of the lattice dynamics and the electron-phonon interaction below the metal-insulator transition temperature ({\it T}$_{\rm MI}$).…

A q-deformed two-dimensional phase space is studied as a model for a noncommutative phase space. A lattice structure arises that can be interpreted as a spontaneous breaking of a continuous symmetry. The eigenfunctions of a Hamiltonian that…

We have explored the unknown structure of the phosphorus in the phase IV (P-IV phase) based on the first-principles calculations using the metadynamics simulation method. Starting from the simple cubic structure, we found a new modulated…

We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations.…

We introduce a class of $n$-dimensional (possibly inhomogeneous) spin-like lattice systems presenting modulated phases with possibly different textures. Such systems can be parameterized according to the number of ground states, and can be…

The structural properties of the SrFe2As2 and CaFe2As2 compounds have been extensively analyzed by transmission electron microscopy (TEM) from room temperature down to 20K. The experimental results demonstrate that the SrFe2As2 crystal, in…