Related papers: Ir3Ge20: A 3n-Connected Cloverleaf-Shaped Superclu…
In the present study, the structure, thermal stability, conductive properties, and antimicrobial activity of silver(I) complexes with nitrile ligands were investigated. For the construction of the materials, 2 cyanopyridine (2-cpy),…
We study why gold forms planar and cage-like clusters while copper and silver do not. We use density functional theory and norm-conserving pseudo-potentials with and without a scalar relativistic component. For the exchange-correlation…
Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…
The crystal and magnetic structures of the S = 3/2 chain antiferromagnet beta-CaCr2O4 have been investigated by means of specific heat, magnetization, muon relaxation and neutron powder diffraction between 300K and 1.5K. Owing to the…
Magnetic nanoflowers are densely packed aggregates of superferromagnetically coupled iron oxide nanocrystallites, which excel during magnetic hyperthermia experiments. Here, we investigate the nature of the moment coupling within a powder…
The low-energy structures of mixed Ar--Xe and Kr--Xe Lennard-Jones clusters are investigated using a newly developed parallel Monte Carlo minimization algorithm with specific exchange moves between particles or trajectories. Tests on the…
Semiconductor nanowhiskers made of III-V compounds exhibit great potential for technological applications. Controlling the growth conditions, such as temperature and diameter, it is possible to alternate between zinc blend and wurtzite…
The structure and magnetic properties of Co clusters, comprising from 26 to 2700 atoms, self-organized or not on the graphene/Ir(111) moir\'e, were studied in situ with the help of scanning tunneling microscopy and X-ray magnetic circular…
Non-centrosymmetric EuTGe3 (T=Co, Ni, Rh, and Ir) possesses magnetic Eu2+ ions and antiferromagnetic ordering appears at low temperatures. Transition metal substitution leads to changes of the unit cell volume and of the magnetic ordering.…
Structure and chemical features of layered compounds BaM2Ge4Ch6 (M = Rh, Ir; Ch = S, Se) synthesized under high-pressure and high-temperature method are systematically studied. These compounds crystallize in an orthorhombic phase with space…
We have synthesized single crystals of CeZnAl$_3$, which is a new member of the family of the Ce-based intermetallics Ce$TX_3$ ($T$ = transition metal, $X$= Si, Ge, Al), crystallizing in the non-centrosymmetric tetragonal BaNiSn$_3$-type…
Topological insulators embody a new state of matter characterized entirely by the topological invariants of the bulk electronic structure rather than any form of spontaneously broken symmetry. Unlike the 2D quantum Hall or quantum…
Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and…
Sub-oxides with the anti-perovskite structure constitute a large part of the interstitial stabilized compounds with novel chemical and physical properties, especially in the systems containing rare earth elements and/or early transition…
Bi2Se3, Bi2Te3 and Sb2Te3 compounds are recently predicted to be 3-dimentional (3D) strong topological insulators. In this paper, based on ab-initio calculations, we study in detail the topological nature and the surface states of this…
The local structural environment and the spatial distribution of iron and aluminum ions in sodosilicate glasses with composition NaFexAl1-xSi2O6 (x = 1, 0.8, 0.5 and 0) is studied by high-resolution neutron diffraction combined with…
Single crystals of a new silver and-cobalt based vanadate AgCo2V3O10 were grown from a melted mixture. The crystal structure determination reveals that this new vanadate crystallizes in triclinic system with space group P-1. The structure…
Mechanical properties, atomic and energy band structures of bare and hydrogen passivated Si$_{n}$Ge$_{n}$ nanowire superlattices have been investigated by using first-principles pseudopotential plane wave method. Undoped, tetrahedral Si and…
We present the synthesis and study of the magnetic and electronic properties of NiFe2O4/{\gamma}-Al2O3/SrTiO3 heterostructure. The {\gamma}-Al2O3/SrTiO3 interface hosts a high-mobility two-dimensional electron gas (2DEG) with large…
Intermetallic compounds containing transition metals and group III-V metals tend to possess strong correlations and high catalytic activities, both of which can be enhanced via reduced dimensionality. Nanostructuring is an effective…