Materials Literature
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Organic ligands have the potential to contribute to the reduction potential, or lowest unoccupied molecular orbital (LUMO) energy, of semiconductor nanocrystals. Rationally introducing small, strongly binding, electron-donating ligands should enable improvement in the open circuit potential of hybrid organic/inorganic…
We report on the strong influence of Carbon doping on 1/f noise in fully epitaxial Fe/MgO(100)12ML/Fe magnetic tunnel junctions in comparison with undoped junctions with a large density of barrier defects. Carbon influences the relaxation of defects, the reconstruction of the interface and the symmetry transformation…
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 shear modulus are consistent with other theoretical values. The phase transition f…
CoPt or FePt equiatomic alloys order according to the tetragonal L10 structure which favors their strong magnetic anisotropy. Conversely magnetism can influence chemical ordering. We present here {\it ab initio} calculations of the stability of the L10 and L12 structures of Co-Pt alloys in their paramagnetic and ferro…
Similar to carbon, several transition-metal chalcogenides are able to form tubular structures. Here, we present results from systematic theoretical investigations of structural and mechanical properties of MoS 2 and TiS 2 nanotubes in comparison to each other, to carbon nanotubes, and to corresponding experimental res…
It was reported earlier [Phys. Rev. Lett. 106, 056401 (2011)] that the skutterudite structure compound CoSb$_3$ displays a unique band structure with a topological transition versus a symmetry-preserving sublattice (Sb) displacement very near the structural ground state. The transition is through a massless Dirac-Weyl…
We show that in graphene epitaxially grown on SiC the Drude absorption is transformed into a strong terahertz plasmonic peak due to natural nanoscale inhomogeneities, such as substrate terraces and wrinkles. The excitation of the plasmon modifies dramatically the magneto-optical response and in particular the Faraday…
In the framework of the engineering version of a Local approach to fracture the criterion of a fracture limit of RPV with crack-like flaw is derived. It has been shown that the level of ductile state stability (mechanical stability) of metal ahead of a crack governs the value of critical fluence. On this basis, the ne…
A three-parameter equation of state (EOS) without physically incorrect oscillations is proposed based on the generalized Lennard-Jones (GLJ) potential and the approach in developing linear isotherm regularity (LIR) EOS of Parsafar and Mason [J. Phys. Chem., 1994, 49, 3049]. The proposed (GLIR) EOS can include the LIR…
Most of the reflectometry methods which are used for determining the phase of complex reflection coefficient such as reference method and Variation of Surroundings medium are based on solving the Schrödinger equation using a discontinuous and step-like scattering optical potential. However, during the deposition proce…
The EPR parameters g factors and the superhyperfine parameters for the tetrahedral [FeX_4]^- clusters in AgX (X=Cl, Br) are theoretically investigated from the perturbation formulas of these parameters for a 3d^5 ion under tetrahedra by considering both the crystal-field and charge transfer contributions. The related…
The calculation of spatial structure of a quantum intermediate state in high pure type I superconductors in external magnetic field at low temperatures is completed. The theoretical model of thermodynamics of intermediate state in type I superconductors was proposed by Andreev. It is shown, that in the quantum case, t…
Flower-like nanostructures formed by ZnO nanorods were synthesized and deposited on seeded silicon and glass substrates by a hexamethylenetetramine (HMTA) - assisted hydrothermal method at low temperature (90 oC) with methenamine ((CH3)6N4), as surfactant and catalyst. The substrates were seeded with ZnO nanoparticles…
We observed unexpected resonant response in [Fe/Cr]_(10) multilayers epitaxially grown on MgO(100) substrates which exists only when both ac current and dc magnetic field are simultaneously applied. The magnitude of the resonances is determined by the multilayer magnetization proving their intrinsic character. The red…
Recently hybridized monolayers consisting of hexagonal boron nitride (h-BN) phases inside graphene layer have been synthesized and shown to be an effective way of opening band gap in graphene monolayers [1]. In this letter, we report an ab initio density functional theory (DFT)- based study of h-BN domain size effect…
We compare the results for the related to the shear strain ε_4 physical characteristics of Rochelle salt obtained within the recently developed modified two-sublattice Mitsui model that takes into account the strain ε_4 and the diagonal components of the strain tensor ε_1, ε_2, ε_3 with the results of the previous mod…
We present the first systematic study of timing and spectral diagrams of magnetic video-pulse influence on the NMR two-pulse echo in a number of magnets (ferromagnets, ferrites, half metals, intermetals). It is shown that the timing diagrams showing the dependence of two-pulse echo intensity on the temporal location o…
We present a simple theory explaining the extraordinary features of high-contrast optical gratings in the near-wavelength regime, particularly the very broadband high reflectivity (>99%) and the ultra-high quality factor resonances (Q>10(7)). We present, for the first time, an intuitive explanation for both features u…
The persistent luminescence of CdSiO 3:Tb 3+ was investigated with photoluminescence, thermoluminescence (TL), synchrotron radiation X-ray absorption (XANES and EXAFS) and UV-VUV spectroscopies. Only the typical intraconfigurational 4f 8 –4f 8 transitions of the Tb 3+ ion were observed with no traces of band emission…
This paper reports a comprehensive study on the synthesis and self-assembly of two model series of molecular shape amphiphiles, namely, hydrophilic [60]fullerene (AC(60)) tethered with one or two polystyrene (PS) chain(s) at one junction point (PS(n)-AC(60) and 2PS(n)-AC(60)). The synthesis highlighted the regiospecif…