Materials Literature
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Within the inherent structure thermodynamic formalism introduced by Stillinger and Weber [Phys. Rev. A 25, 978 (1982)]], we address the basic question of the physics of the liquid-liquid transition and of density maxima observed in some complex liquids such as water by identifying, for the first time, the statistical…
Results of a study of dc magnetization $M(T,H),$ performed on a ${\mathrm{Nd}}_{0.6}{\mathrm{Pb}}_{0.4}{\mathrm{MnO}}_{3}$ single crystal in the temperature range around ${T}_{C}$ (Curie temperature) which embraces the supposed critical region $|\ensuremath{\varepsilon}|=|T\ensuremath{-}{T}_{C}|{/T}_{C}<~0.05$ are…
Using an accurate full-potential density-functional method we explore systematically all the $3d$ transition metal pnictides and chalcogenides with wurtzite structure in order to find half-metallic ferromagnets which can be fabricated as thin films with thickness large enough for real spintronic applications. Nine of…
In part III of this paper, alternative Landau potentials for the description of stress-and temperature-induced martensitic phase transformations under arbitrary three-dimensional loading are obtained. These alternative potentials include a sixth-degree (2-4-6) polynomial in Cartesian order parameters and a potential i…
We have studied the electronic structure and charge-carrier dynamics of individual single-wall carbon nanotubes (SWNTs) and nanotube ropes using optical and electron-spectroscopic techniques. The electronic structure of semiconducting SWNTs in the band-gap region is analyzed using near-infrared absorption spectroscopy…
Ferromagnetic properties of In1-xMnxAs thin films were investigated. Room temperature ferromagnetic order was observed in nominally single-phase films with x = 0.01-0.10. Magnetization measurements indicated that these In1-xMnxAs samples had a Curie temperature of 333 K. The Curie temperature was independent of Mn con…
A rapid decrease in the critical current density (Jc) of YBa2Cu3O7-x (YBCO) films with increasing film thickness has been observed for multiple YBCO growth processes. While such behavior is predicted from 2D collective pinning models under certain assumptions, empirical observations of the thickness dependence of Jc a…
The coefficient of normal restitution (COR) in an oblique impact is theoretically studied. Using a two-dimensional lattice models for an elastic disk and an elastic wall, we investigate the dependency of COR on an incident angle and demonstrate that COR can exceed one and have a peak against an incident angle in our s…
It has been shown that tunneling of spin-polarized electrons through a semiconductor barrier is accompanied by generation of an electric current in the plane of the interfaces. The direction of this interface current is determined by the spin orientation of the electrons, in particular the current changes its directio…
The microstructure of (In,Mn)As thin films grown using metalorganic vapor phase epitaxy (MOVPE) was investigated to determine the origin of room temperature ferromagnetism in these films. Transmission electron microscopy (TEM) based techniques were used to investigate phase purity and compositional homogeneity. Microa…
We present a state-of-the-art first-principles analysis of electronic transport in a Pt nanocontact in the presence of H2 which has been recently reported by Smit et al. in Nature 419, 906 (2002). Our results indicate that at the last stages of the breaking of the Pt nanocontact two basic forms of bridge involving H c…
Carbon nanotubes and biological filaments each spontaneously assemble into kinked helices, rings, and "tennis racket" shapes due to competition between elastic and interfacial effects. We show that the slender geometry is a more important determinant of the morphology than any molecular details. Our mesoscopic continu…
A two-dimensional lattice model with bond disorder is used to investigate the fracture behaviour under stress-controlled conditions. Although the cumulative energy of precursors does not diverge at the critical point, its derivative with respect to the control parameter (reduced stress) exhibits a singular behaviour.…
Abstract Drilling into a hydrogen-sulphide (H2S) rich formation presents risks that the highly toxic gas might be carried to the surface and released, thus creating a serious hazard. To mitigate this risk, it is standard practice to run the drilling mud at high pH and to include a sulphide scavenger. Commonly, such sc…
The possibility for double-wall carbon nanotube to operate as the bolt and nut pair is studied. The barriers for relative motions of walls along the helical "thread" line and for jumps on neighbour helical lines are calculated as functions of wall lengths for the set of double-wall carbon nanotubes. The dynamics of re…
The incommensurate, modulated crystal structures of Sr 1+ x (Co x Mn 1 - x )O 3 ( x ≈ 0.266 and 0.280) have been refined by a (3+1)D superspace profile analysis of neutron powder diffraction data. The structures are related to the 2H perovskite structure and consist of two subsystems, [Co x Mn 1 - x O 3 ] ∞ chains con…
Triethylenetetramine (L(4)) was used as a tetradentate blocking ligand that, after complexation with Ni(II), leaves two sites ready for ligation with tricyanomethanide. The formed binuclear complex [L(4)Ni(NCC(CN)CN)(2)NiL(4)](ClO(4))(2) exhibits a ferromagnetic coupling with J/hc = +0.15 cm(-1) and g(Ni) = 2.126; bel…
A tripodal ligand, tris(2-pyridyl)carbinol, affords a novel tetradentate coordination mode in homodinuclear lanthanide complexes, which exhibit remarkably short distances between metal ions. The strong luminescences of Eu(III) and Tb(III) complexes with the ligand demonstrate that the ligand has a suitable excited sta…
The reaction of MnF(3) with 5,6-dimethylbenzotriazole (Me(2)BTAH) gives the [Mn(III)(8)] complex [Mn(8)O(4)(OMe)(2)(Me(2)BTA)(6)F(8)(Me(2)BTAH)(MeOH)(8)] and the [Mn(IV)(3)Mn(III)(10)] complex [Mn(13)O(12)(Me(2)BTA)(12)F(6)(MeOH)(10)(H(2)O)(2)]. The octametallic species is an "intermediate" in the formation of the tri…
Several intermediates and final products of the reactions of [Rh(2)(mu-CH(3)COO)(4)(CH(3)OH)(2)] with a tridentate ligand bis(2-pyridylmethyl)amine (bpa) and bidentate 2-(aminomethyl)pyridine (amp) have been isolated, and the chelation processes of these ligands to the dirhodium(II) center are discussed. The reaction…