Related papers: Cd3As2 is Centrosymmetric
Mn3TeO6 exhibits a corundum-related A3TeO6 structure and a complex magnetic structure involving two magnetic orbits for the Mn atoms [*]. Mn3-xCdxTeO6 (x=0, 1, 1.5 and 2) ceramics were synthesized by solid state reaction and investigated…
Structure is the most basic and important property of crystalline solids; it determines directly or indirectly most materials characteristics. However, predicting crystal structure of solids remains a formidable and not fully solved…
Topological crystalline insulators (TCI) are insulating electronic phases of matter with nontrivial topology originating from crystalline symmetries. Recent theoretical advances have provided powerful guidelines to search for TCIs in real…
Most transition-metal trihalides are dimorphic. The representative chromium-based triad, CrCl3, CrBr3, CrI3, is characterized by the low-temperature phase adopting the trigonal BiI3 type while the structure of the high-temperature phase is…
The ionic bonding across the lattice and ordered microscopic structures endow crystals with unique symmetry and determine their macroscopic properties. Unconventional crystals, in particular, exhibit non-traditional lattice structures or…
The recent discovery of topological insulators has revived interest in the topological properties of insulating band structures. In this work, we extend the topological classification of insulating band structures to include certain point…
Chiral crystals have recently garnered significant interest in condensed matter physics due to their unique electronic and optical properties. In this paper, we explore the connection between the chirality of crystal structures and the…
A routine crystallography technique, crystal structure analysis, is rarely performed in computational condensed matter research. The lack of methods to identify and characterize crystal structures reliably in particle simulation data…
We study by molecular dynamics the interplay between arrest and crystallization in hard spheres. For state points in the plane of volume fraction ($0.54 \leq phi \leq 0.63$) and polydispersity ($0 \leq s \leq 0.085$), we delineate states…
The three dimensional (3D) Dirac semimetal, which has been predicted theoretically, is a new electronic state of matter. It can be viewed as 3D generalization of graphene, with a unique electronic structure in which conduction and valence…
A technique for obtaining efficient bulk second order susceptibility in non centro-symmetric Photonic Crystals (PC) made from centro-symmetric materials is discussed. The effect is based on the electric quadrupole effect, strong…
Developments during the last eight years have refuted the folklore that chiral symmetries cannot be preserved on the lattice. The mechanism that permits chiral symmetry to coexist with the lattice is quite general and may work in Nature as…
By means of single-crystal X-ray diffraction we have revealed the breaking of centrosymmetry when lowering the temperature under T$_s$ = 200 K concomitantly with the setting of a commensurate superstructure in the small A-site quadruple…
Magnetic materials with noncollinear spin textures are promising for spintronic applications. To realize practical devices, control over the length and energy scales of such spin textures is imperative. The chiral helimagnets Cr1/3NbS2 and…
We study Crystal Structure Prediction, one of the major problems in computational chemistry. This is essentially a continuous optimization problem, where many different, simple and sophisticated, methods have been proposed and applied. The…
Metals cannot exhibit ferroelectricity because static internal electric fields are screened by conduction electrons, but in 1965, Anderson and Blount predicted the possibility of a ferroelectric metal, in which a ferroelectric-like…
The precise crystal symmetry and hence the emergence of the electric polarization still remains an open question in the multiferroic materials $R$Mn$_2$O$_5$ ($R$ = rare-earth, Bi, Y). While previous diffraction studies have indicated that…
Recently, Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S Schmidt, Nicki F Hinsche, Morten N Gjerding, Daniele Torelli, Peter M Larsen, Anders C Riis-Jensen, Jakob Gath, Karsten W Jacobsen, Jens Jrgen Mortensen,…
The polarization matrix ($2\times2$) obtained from two component eigen-spinors of spherical harmonics help us to evaluate the differential matrix $N$ of the anisotropic optical medium. The geometric phase is realized through {\it helicity}…
Mathematicians have been interested in non-periodic tilings of space for decades; however, it was the unexpected discovery of non-periodically ordered structures in intermetallic alloys which brought this subject into the limelight. These…