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arXiv2009

Selective Heating Mechanism of Magnetic Metal Oxides by Alternating Magnetic Field in Microwave Sintering Process

The mechanism of rapid and selective heating of magnetic metal oxides under the magnetic field of microwaves which continues beyond the Curie temperature $ T_{c} $ is identified by using the Heisenberg model. Monte Carlo calculations based on the energy principle show that such heating is caused by non-resonant response of electron spins in the unfilled 3d shell to the wave magnetic field. Small spin reorientation thus generated leads to a large internal energy change through the exchange interactions between spins, which becomes maximal around $ T_{c} $ for magnetite $ {\rm Fe}_{3}{\rm O}_{4} $. The dissipative spin dynamics simulation yields the imaginary part of the magnetic susceptibility, which becomes largest around $ T_{c} $ and for the microwave frequency around 2 GHz. Hematite $ {\rm Fe}_{2}{\rm O}_{3} $ with weak spontaneous magnetization responds much less to microwaves as observed in experiments. The heating of titanium oxide by microwave magnetic field only when oxygen defects are present is also explained by our theory in terms of the absence of spontaneous magnetization.

cond-mat.mtrl-sci↗
arXiv2008

Molecular dynamics simulations of ultrathin water film confined between flat diamond plates

Molecular dynamics simulations of ultrathin water film confined between atomically flat rigid diamond plates are described. Films with thickness of one and two molecular diameters are concerned and TIP4P model is used for water molecules. Dynamical and equilibrium characteristics of the system for different values of the external load and shear force are investigated. An increase of the external load causes the transition of the film to a solidlike state. This is manifested in the decreasing of the diffusion constant and in the ordering of the liquid molecules into quasidiscrete layers. For two-layer film under high loads molecules also become ordered parallel to the surfaces. Time dependencies of the friction force and the changes of its average value with the load are obtained. In general, the behaviour of the studied model is consistent with the experimental results obtained for simple liquids with spherical molecules.

cond-mat.stat-mech↗
arXiv2008

Rigidity-based approach to the boson peak in amorphous solids: from sphere packing to amorphous silica

Glasses have a large excess of low-frequency vibrational modes in comparison with continuous elastic body, the so-called Boson Peak, which appears to correlate with several crucial properties of glasses, such as transport or fragility. I review recent results showing that the Boson Peak is a necessary consequence of the weak connectivity of the solid. I explain why in assemblies repulsive spheres the boson peak shifts up to zero frequency as the pressure is lowered toward the jamming threshold, and derive the corresponding exponent. I show how these ideas capture the main low-frequency features of the vibrational spectrum of amorphous silica. These results extend arguments of Phillips on the presence of floppy modes in under-constrained covalent networks to glasses where the covalent network is rigid, or when interactions are purely radial.

cond-mat.mtrl-sci↗
arXiv2008

Half-metallic zigzag carbon nanotube dots

A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized ground state, where opposite spins are localized at the two zigzag edges in a long-range antifferomagnetic configuration. Relative stability analysis of the different spin states indicate that, for the shorter segments, spin-ordering should be present even at room temperature. The energy gap between the highest occupied and the lowest unoccupied molecular orbitals of the finite systems is found to be inversely proportional to the nanotubes segments length, suggesting a route to control their electronic properties. Similar to the case of zigzag graphene nanoribbons, half-metallic behavior is obtained under the influence of an external axial electric field.

cond-mat.mtrl-sci↗
arXiv2008

Dynamical Regimes Induced by Spin Transfer in Magnetic Nanopillars

We demonstrate the predicted out-of-plane precession induced by spin transfer in magnetic nanostructures with in-plane magnetic field. We show that other magnetic excitations have a significant effect on the stability of the out-of plane precession, making it extremely sensitive to the orientation of the applied magnetic field. The data are supported with micromagnetic simulations. Our results elucidate the relation between the excitation spectrum and the specific dynamical behaviors of nanoscale magnets.

cond-mat.mtrl-sci↗
arXiv2008

A complete Raman mapping of phase transitions in Si under indentation

Crystalline Si substrates are studied for pressure induced phase transformation under indentation at room temperature using Berkovich tip. Raman scattering study is used for the identification of the transformed phases. Raman line as well as area mapping are used for locating the phases in the indented region. Calculation of pressure contours in the indented region is used for understanding the phase distribution. We report here a comprehensive study of all the phases of Si, reported so far, leading to possible understanding of material properties useful for possible electromechanical applications. As a major finding, distribution of amorphous phase in the indented region deviates from the conventional wisdom of being in the central region alone. We present phase mapping results for both Si(100) and Si(111) substrates.

cond-mat.mtrl-sci↗
arXiv2008

Orbital ordering promotes weakly-interacting S=1/2 dimers in the triangular lattice compound Sr3Cr2O8

The weakly interacting S=1/2 dimers system Sr3Cr2O8 has been investigated by powder neutron diffraction and inelastic neutron scattering. Our data reveal a structural phase transition below room temperature corresponding to an antiferro-orbital ordering with nearly 90 degrees arrangement of the occupied 3z^2-r^2 d-orbital. This configuration leads to a drastic reduction of the inter-dimer exchange energies with respect to the high temperature orbital-disorder state, as shown by a spin-dimer analysis of the super-superexchange interactions performed using the Extended Huckel Tight Binding method. Inelastic neutron scattering reveals the presence of a quasi non-dispersive magnetic excitation at 5.4 meV, in agreement with the picture of weakly-interacting dimers.

cond-mat.mtrl-sci↗
arXiv2008

Synthesis, Contact Printing, and Device Characterization of Ni-Catalyzed, Crystalline InAs Nanowires

InAs nanowires have been actively explored as the channel material for high performance transistors owing to their high electron mobility and ease of ohmic metal contact formation. The catalytic growth of non-epitaxial InAs nanowires, however, has often relied on the use of Au colloids which is non-CMOS compatible. Here, we demonstrate the successful synthesis of high yield of crystalline InAs nanowires with high yield and tunable diameters by using Ni nanoparticles as the catalyst material on amorphous SiO2 substrates. The nanowires show superb electrical properties with field-effect electron mobility ~2,700 cm2/Vs and ION/IOFF >103. The uniformity and purity of the grown InAs nanowires are further demonstrated by large-scale assembly of parallel arrays of nanowires on substrates via the contact printing process that enables high performance, printable transistors, capable of delivering 5-10 mA ON currents (~400 nanowires).

cond-mat.mtrl-sci↗
arXiv2008

Experimental Investigation of Thickness Effects on Mixed-mode I/II Fracture of an Aluminum Alloy

Experimental investigations on the effect of thicknesses on mixed-mode I/II fracture are performed with an aluminum alloy with thicknesses of 2, 4, 8 and 14 mm. It is found that under pure-mode I loading condition, the loading capacity per unit thickness monotonically decreases with increasing thickness. However, under mixed-mode loading condition, the dependence of loading capacity on the thickness becomes very weak. Although the measured crack initiation angles from the mid-plane of the fractured specimens coincide well with typical existed criteria in the thin and thick specimens under all the mixed-mode conditions except pure-mode II, exceptional low crack initiation angles are found in the 8mm-thick specimens. Although ductile dimples are the dominated microscopic features in all the specimens, the size of the final voids varies significantly with specimen thickness and loading mode. The ductile dimples in the crack initiation zone become larger and shallower as the specimen thickness decreasing.

cond-mat.mtrl-sci↗
arXiv2008

Dynamical vertex approximation -- an introduction

We give an elementary introduction to a recent diagrammatic extension of dynamical mean field theory (DMFT) coined dynamical vertex approximation (D$Γ$A). This approach contains the important local correlations of DMFT, giving, among others, rise to quasiparticle renormalizations, Mott-Hubbard transitions and magnetism, but also non-local correlations beyond. The latter are at the very essence of many physical phenomena in strongly correlated elecectron systems. As correlations are treated equally on all length scales, D$Γ$A allows us to describe physical phenomena such as magnons, quantum criticality, and the interplay between antiferromagnetism and superconductivity. We review results hitherto obtained for the Hubbard model in dimensions d=3, 2, and 1.

cond-mat.str-el↗
arXiv2009

Electronic exchange in quantum rings

Quantum rings can be characterized by a specific radius and ring width. For this rich class of physical systems, an accurate approximation for the exchange-hole potential and thus for the exchange energy is derived from first principles. Excellent agreement with the exact-exchange results is obtained regardless of the ring parameters, total spin, current, or the external magnetic field. The description can be applied as a density functional outperforming the commonly used local-spin-density approximation, which is here explicitly shown to break down in the quasi-one-dimensional limit. The dimensional crossover, which is of extraordinary importance in low-dimensional systems, is fully captured by our functional.

cond-mat.str-el↗
arXiv2008

Dynamics of Photo-excited Spins in InSb Based Quantum Wells

We report time resolved measurements of spin relaxation in doped and undoped InSb quantum wells using degenerate and two-color magneto-optical Kerr effect techniques. We observed that the photo-excited spin dynamics are strongly influenced by laser excitation fluence and the doping profile of the samples. In the low fluence regime, an oscillatory pattern was observed at low temperatures ($\leq$ 77 K) in the samples with an asymmetric doping profile which might be attributed to the quasi-collision-free spin relaxation regime. Our measurements also suggest the influence of the barrier materials (Al$_{x}$In$_{1-x}$Sb) on the spin relaxation in these material systems.

cond-mat.mtrl-sci↗
arXiv2008

The Micromechanics of Three Dimensional Collagen-I Gels

We study the micromechanics of collagen-I gel with the goal of bridging the gap between theory and experiment in the study of biopolymer networks. Three-dimensional images of fluorescently labeled collagen are obtained by confocal microscopy and the network geometry is extracted using a 3d network skeletonization algorithm. Each fiber is modeled as a worm-like-chain that resists stretching and bending, and each cross-link is modeled as torsional spring. The stress-strain curves of networks at three different densities are compared to rheology measurements. The model shows good agreement with experiment, confirming that strain stiffening of collagen can be explained entirely by geometric realignment of the network, as opposed to entropic stiffening of individual fibers. The model also suggests that at small strains, cross-link deformation is the main contributer to network stiffness whereas at large strains, fiber stretching dominates. Since this modeling effort uses networks with realistic geometries, this analysis can ultimately serve as a tool for understanding how the mechanics of fibers and cross-links at the microscopic level produce the macroscopic properties of the network. While the focus of this paper is on the mechanics of collagen, we demonstrate a framework that can be applied to many biopolymer networks.

cond-mat.soft↗
arXiv2008

Inelastic neutron scattering and lattice dynamical calculations in BaFe2As2

We report here first extensive measurements of the temperature dependence of phonon density of states of BaFe2As2, the parent compound of the newly discovered FeAs-based superconductors, using inelastic neutron scattering. The experiments were carried out on the thermal time-of-flight neutron spectrometer IN4 at the ILL on a polycrystalline sample. There is no appreciable change in the spectra between T = 10 K and 200 K, although the sample undergoes a magnetic as well as a tetragonal-to-orthorhombic structural phase transition at 140 K. This indicates a rather harmonic phonon system. Shell model lattice dynamical calculations based on interatomic potentials are carried out to characterize the phonon data. The calculations predict a shift of the Ba-phonons to higher energies at 4 GPa. The average energy of the phonons of the Ba-sublattice is also predicted to increase on partial substitution of Ba by K to Ba0.6K0.4. The calculations show good agreement with the experimental phonon spectra, and also with the specific heat data from the literature.

cond-mat.supr-con↗
arXiv2008

Molecular Electronics: Effect of external electric field

The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some of our own results in this area. We have first shown how important it is to obtain the spatial profile of the external bias potential across the system, and how this would change in the presence of electron-electron interactions. We have also studied different kinds of insulators in the presence of the spatially varying external bias, and have explicitly shown that a two sublattice structure, caused either by a lattice distortion, or by the presence of substituents with strong dipolar nature, can result in negative differential resistance (NDR) in the transport characteristics. We also find this to be true in case of correlated insulators. Additionally, we have shown clear NDR behavior in a correlated double quantum dot by tuning the electron-electron interaction strength in the system.

cond-mat.mtrl-sci↗
arXiv2012

Classical theory of second-harmonic generation from magnetic metamaterials

Strong second-harmonic generation has recently been experimentally observed from metamaterials consisting of periodic arrays of metal split ring resonators with an effective negative magnetic permeability [Science, 313, 502 (2006)]. To explore the underlying physical mechanism, a classical model derived from microscopic theory is employed here. The quasi-free electrons inside the metal are approximated as a classical Coulomb-interacting electron gas, and their motion under the excitation of an external electromagnetic field is described by the cold-plasma wave equations. Through numerical simulations, it is demonstrated that the microscopic theory includes the dominant physical mechanisms bothqualitatively and quantitatively.

cond-mat.mtrl-sci↗
arXiv2011

Thermodynamic consistency and fast dynamics in phase field crystal modeling

A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform or periodic stable states, and containing slow as well as fast thermodynamic variables. The approach is based on an entropy functional formalism previously developed in the context of phase field models for uniform states [P. Galenko and D. Jou, Phys. Rev. E {\bf 71}, 046125 (2005)] and thus allows to extend several properties of the latter to phase field models for periodic states (phase field crystal models). In particular, it allows to demonstrate the concept of thermodynamic consistency for phase field crystal models with fast dynamics.

cond-mat.mtrl-sci↗