相关论文: Frequency estimate for multicomponent crystalline …
Composite materials are often stronger than their constituents. We demonstrate this through a spring network model on a square lattice. Two different types of sites (A and B) are distributed randomly on the lattice, representing two…
The $N/D$ method is used to study the $S_{11}$ channel low energy $\pi N$ scattering amplitude. The input of left cuts are obtained from various phenomenological models. With the aid of the production representation, the total phase shifts…
An extremely careful analysis of the forest of weak metal-line systems at z ~ 2 has allowed the separation into individual `single-phase ionization' components with accurate parameters. The systems typically span several hundred km/s and…
Heusler alloys with $Ni-Mn-Cu$ (all d-transition metal) composition have been studied; equilibrium structures for different magnetic configurations are found. Elastic constants and tetragonal distortion are analyzed. Distortion effect on…
Polycrystalline samples of the RE$_{5}$Rh$_2$In$_4$ (RE = Gd--Tm) intermetallics have been investigated by means of X-ray diffraction (XRD) as well as by DC and AC magnetometric measurements. The XRD data confirm that the compounds…
This paper summarizes a talk presented at the April NATO ASI on Spatiotemporal Chaos in Complex Fluids, in Santa Fe, NM. The paper gives reasons that make complex fluids good material systems for conducting experiments on pattern formation…
The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate…
We report the first principle theory-based study of stability, electronic structure and optical properties of cluster assembled materials in various 1D, 2D and 3D nanostructures using a cage-like Cd9Te9 cluster as the super-atom. The bulk…
For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…
In the series R2PdSi3, Nd2PdSi3 is an anomalous compound in the sense that it exhibits ferromagnetic order unlike other members in this family. The magnetic ordering temperature is also unusually high compared to the expected value for a…
Crystal structures of a series of La1-xCexIn3 (x = 0.02, 0.2, 0.5, or 0.8) intermetallic compounds have been investigated by both neutron and X-ray diffraction, and their physical properties have been characterized by magnetic…
We present elemental abundance measurements for 9 damped Ly-alpha systems (DLAs) and 1 sub-DLA at 0.1 < z < 1.5 from recent observations with the Multiple Mirror Telescope. Most of these absorbers are found to be metal-poor, while 2 are…
Metal coordination is ubiquitous in Nature and central in many applications ranging from nanotechnology to catalysis and environmental chemistry. Complex formation results from the subtle interplay between different thermodynamic, kinetic,…
In this paper we address the characterization of the structure of condensed materials, periodic and non-periodic. Carrying out an extensive study of over 7000 different groundstate structures of a 2D lattice model of binary packing, we find…
Effects of alloying on the electronic and magnetic properties of Mn$_{x}$Co$_{y}$ ($x+y$=$n$=2-5; $x$=0-$n$) and Mn$_2$Co$_{11}$ nanoalloy clusters are investigated using the density functional theory (DFT). Unlike the bulk alloy, the…
We study the dynamical stability of elemental two-dimensional (2D) metals from Li to Pb by calculating the phonon band structure from first principles, where 2D structures are assumed to be planer hexagonal, buckled honeycomb, and buckled…
A systematic theoretical study of two PbTe-based ternary alloys, Pb1-xCdxTe and Pb1-xMnxTe, is reported. First, using ab initio methods we study the stability of the crystal structure of CdTe - PbTe solid solutions, to predict the…
We discover the detailed atomic structure of $d$-MgZnY, a stable decagonal quasicrystal alloy of the layered Frank-Kasper type, and related phases, using the "tiling and decoration" approach. The atoms have invariable sites in the rectangle…
We have used single crystal X-ray diffraction methods to establish the crystal structures of a compound in the Pd-Mn-Si system and in the Pd-Mn-Ge system. The title compounds have structures related to the Fe$_2$P structure type and are…
The phase diagram and critical properties of the $N$-component London superconductor are studied both analytically and through large-scale Monte-Carlo simulations in $d=2+1$ dimensions (components here refer to different replicas of the…