Related papers: Size Dependence of Lattice Parameter and Electroni…
We show the effect of composition on structural and magnetic characteristics of pure phase polycrystalline Ga<2-x>Fe<x>O<3> (GFO) for compositions between 0.8 <= x <= 1.3. X-ray analysis reveals that lattice parameters of GFO exhibit a…
We have developed a model for the interacting ore/shell nanoparticles, which we used to analyze the dependence of the coercive field Hc, the remanent saturation magnetization Mrs and the satu- ration magnetization Ms on the interfacial…
Nanomaterial surface states can effectively modify or even dominate their physical and chemical properties due to large surface-to-volume ratios. Such surface effects are highly dependent on particle size and ligand coverage, yet the…
The experiments on the impact of the size of magnetite clusters on various magnetic properties (magnetic moment, Curie temperature, blocking temperature etc.) have been carried out. The methods of magnetic separation, centrifuging of water…
In situ high pressure XRD diffraction and Raman spectroscopy have been performed on 12 nm CeO2 nanoparticles. Surprisingly, under quasihydrostatic condition, 12 nm CeO2 nanoparticles maintain the fluorite-type structure in the whole…
Multipolar plasmon oscillation frequencies and corresponding damping rates for nanospheres formed of the simplest free-electron metals are studied. The possibility of controlling plasmon features by choosing the size and dielectric…
We present a model-independent and relativistic approach to analytically derive electromagnetic finite-size effects beyond the point-like approximation. The key element is the use of electromagnetic Ward identities to constrain vertex…
Two-dimensional colloidal nanoplatelets (NPLs) with atomically defined thickness exhibit unique physical properties, yet understanding their formation mechanism and assembly remains essential for tuning their collective behavior. We report…
Size-dependent quantization of energy spectrum of conducting electrons in solids leads to oscillating dependence of electronic properties on corresponding dimension(s). In conventional metals with typical energy Fermi EF~1 eV and the charge…
Theory of electronic and optical properties of exciton and bi-exciton complexes confined in CdSe spherical nanocrystals is presented. The electron and hole states are computed using atomistic $sp^3d^5s^*$ tight binding Hamiltonian including…
We use an efficient projection scheme for the Fock operator to analyze the size dependence of silicon quantum dots (QDs) electronic properties. We compare the behavior of hybrid, screened hybrid and local density functionals as a function…
NaPrTe2, NaNdTe2, and NaTbTe2 are found to be triangular lattice magnets with the alpha-NaFeO2 structure, where lanthanoid atoms with 4f electrons form a triangular lattice, based on the structural analysis and physical property…
The saturation magnetization (M_s), antiferromagnetic transition point (T_N), and the off-center displacements of Bi and Fe ions have been measured as a function of particle size in nanoscale BiFeO3. T_N decreases down to ~550 K for…
Surface and size effect on the order parameter fluctuations and critical phenomena in the intensively studied 3D-confined nanosized systems with long-range order was not considered theoretically, while the calculations for bulk samples and…
We theoretically investigate the size-, shape-, and composition-dependent polarizabilities of the SimCn (m, n = 1 - 4) clusters by using the density functional based coupled perturbed Hartree-Fock method. The size-dependence of the…
Controlling material properties by modulating the crystalline structure has been attempted using various techniques, e.g., hydrostatic pressure, chemical pressure, and epitaxy. These techniques succeed to improve properties and achieve…
In this communication we study the transport properties of two-dimensional assemblies of [Fe(Htrz)2(trz)](BF4) spin-crossover nanoparticles (NPs) with two different morphologies. The NPs have been synthesized made in a similar manner than…
By combining DFT-based computational analysis and symmetry constraints in terms of group-subgroup relations, we analysed the formation of the native crystalline structure of loellingite FeAs$_2$. We showed that the ground state of the…
The elastic, thermodynamic, and electronic properties of fluorite RuO_2 under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and…
Fracture toughness is the material property characterizing resistance to failure. Predicting its value from the solid structure at the atomistic scale remains elusive, even in the simplest situations of brittle fracture. We report here…