Temperature-pressure-induced solid-solid < 100 > to < 110 > reorientation in FCC metallic nanowire: a molecular dynamic study

Atomistic simulation of initial < 100 > oriented FCC Cu nanowires shows a novel coupled temperature-pressure dependent reorientation from < 100 > to < 110 > phase. A temperature-pressure-induced solid-solid < 100 > to < 110 > reorientation diagram is generated for Cu nanowire with varying cross-sectional sizes. A critical pressure is reported for Cu nanowires with varying cross-sectional sizes, above which an initial < 100 > oriented nanowire shows temperature independent reorientation into the < 110 > phase. The effect of surface stresses on the < 100 > to < 110 > reorientation is also studied. The results indicate that above a critical cross-sectional size for a given temperature-pressure, < 100 > to < 110 > reorientation is not possible. It is also reported here that for a given applied pressure, an increase in temperature is required for the < 100 > to < 110 > reorientation with increasing cross-sectional size of the nanowire. The temperature-pressure-induced solid-solid < 100 > to < 110 > reorientation diagram reported in the present paper could further be used as guidelines for controlling the reorientations/shape memory in nano-scale applications of FCC metallic nanowires.

ZnFe(2)O(4): Rapid and sub-100 degrees C synthesis and anneal-tuned magnetic properties

Nanocrystalline zinc ferrite (ZFO) has been synthesized from metal acetylacetonates by microwave irradiation for 5 min in the presence of a surfactant. The as-prepared material is ZFO and has been subjected in air to conventional furnace annealing and to rapid annealing at different temperatures. Both annealing protocols lead to well-crystallized ZFO, with crystallite sizes in the range similar to 8-20 nm, which is ferrimagnetic, even at room temperature, with magnetization attaining saturation. While the magnetization M(S) of conventionally annealed ZFO varies with crystallite size in the expected manner, rapid annealing leads to high M(S) even when the crystallite size is relatively large. The coercivity is greater in the conventionally annealed ZFO. Thermal and magnetic measurements suggest that the inhomogeneous site cationic distribution within each crystallite caused by rapid annealing can be used to tailor the magnetic behaviour of nanocrystalline ferrites.

Physics-Based Band Gap Model for Relaxed and Strained 100] Silicon Nanowires

In this paper, we propose a physics-based simplified analytical model of the energy band gap and electron effective mass in a relaxed and strained rectangular 100] silicon nanowires (SiNWs). Our proposed formulation is based on the effective mass approximation for the nondegenerate two-band model and 4 x 4 Luttinger Hamiltonian for energy dispersion relation of conduction band electrons and the valence band heavy and light holes, respectively. Using this, we demonstrate the effect of the uniaxial strain applied along 100]-direction and a biaxial strain, which is assumed to be decomposed from a hydrostatic deformation along 001] followed by a uniaxial one along the 100]-direction, respectively, on both the band gap and the transport and subband electron effective masses in SiNW. Our analytical model is in good agreement with the extracted data using the extended-Huckel-method-based numerical simulations over a wide range of device dimensions and applied strain.

Study of n-ZnO/p-Si (100) thin film heterojunctions by pulsed laser deposition without buffer layer

ZnO/Si heterojunctions were fabricated by growing ZnO thin films on p-type Si (100) substrate by pulsed laser deposition without buffer layers. The crystallinity of the heterojunction was analyzed by high resolution X-ray diffraction and atomic force microscopy. The optical quality of the film was analyzed by room temperature (RT) photoluminescence measurements. The high intense band to band emission confirmed the high quality of the ZnO thin films on Si. The electrical properties of the junction were studied by temperature dependent current-voltage measurements and RT capacitance-voltage (C-V) analysis. The charge carrier concentration and the barrier height (BH) were calculated, to be 5.6x10(19) cm(-3) and 0.6 eV respectively from the C-V plot. The BH and ideality factor, calculated using the thermionic emission (TE) model, were found to be highly temperature dependent. We observed a much lower value in Richardson constant, 5.19x10(-7)A/cm(2) K-2 than the theoretical value (32 A/cm(2) K-2) for ZnO. This analysis revealed the existence of a Gaussian distribution (GD) with a standard deviation of sigma(2)=0.035 V. By implementing the GD to the TE, the values of BH and Richardson constant were obtained as 1.3 eV and 39.97 A/cm(2) K-2 respectively from the modified Richardson plot. The obtained Richardson constant value is close to the theoretical value for n-ZnO. These high quality heterojunctions can be used for solar cell applications. (C) 2012 Elsevier B.V. All rights reserved.

k.p based closed form energy band gap and transport electron effective mass model for 100] and 110] relaxed and strained Silicon nanowire

In this paper, we address a physics based closed form model for the energy band gap (E-g) and the transport electron effective mass in relaxed and strained 100] and 110] oriented rectangular Silicon Nanowire (SiNW). Our proposed analytical model along 100] and 110] directions are based on the k.p formalism of the conduction band energy dispersion relation through an appropriate rotation of the Hamiltonian of the electrons in the bulk crystal along 001] direction followed by the inclusion of a 4 x 4 Luttinger Hamiltonian for the description of the valance band structure. Using this, we demonstrate the variation in Eg and the transport electron effective mass as function of the cross-sectional dimensions in a relaxed 100] and 110] oriented SiNW. The behaviour of these two parameters in 100] oriented SiNW has further been studied with the inclusion of a uniaxial strain along the transport direction and a biaxial strain, which is assumed to be decomposed from a hydrostatic deformation along 001] with the former one. In addition, the energy band gap and the effective mass of a strained 110] oriented SiNW has also been formulated. Using this, we compare our analytical model with that of the extracted data using the nearest neighbour empirical tight binding sp(3)d(5)s* method based simulations and has been found to agree well over a wide range of device dimensions and applied strain. (C) 2012 Elsevier Ltd. All rights reserved.

Surfactant free, non-aqueous method, for the deposition of ZnO nanoparticle thin films on Si(100) substrate with tunable ultraviolet (UV) emission

We report, strong ultraviolet (UV) emission from ZnO nanoparticle thin film obtained by a green synthesis, where the film is formed by the microwave irradiation of the alcohol solution of the precursor. The deposition is carried out in non-aqueous medium without the use of any surfactant, and the film formation is quick (5 min). The film is uniform comprising of mono-disperse nanoparticles having a narrow size distribution (15-22 nm), and that cover over an entire area (625 mm(2)) of the substrate. The growth rate is comparatively high (30-70 nm/min). It is possible to tune the morphology of the films and the UV emission by varying the process parameters. The growth mechanism is discussed precisely and schematic of the growth process is provided.

Low temperature and rapid deposition of ZnO nanorods on Si(100) substrate with tunable optical emissions

This research article describes the large scale fabrication of ZnO nanorods of various shapes on Si(100) substrate, by using metalorganic precursor of Zn in solutions with microwave as the source of energy. This is a low temperature, environmental friendly and rapid thin film deposition process, where ZnO nanorods (1-3 mu m length) were grown only in 1-5 min of microwave irradiation. All as-synthesized nanorods are of single crystalline grown along the < 0001 > crystallographic direction. The coated nanorods were found to be highly dense having a thickness of similar to 1-3 mu m over the entire area 20 mm x 20 mm of the substrate. The ZnO thin film comprising of nanorods exhibits good adhesion with the substrate. A possible mechanism for the initial nucleation and growth of ZnO is discussed. A cross over from a strong visible light emission to an enhanced UV emission is observed, when the nature of the surfactants are varied from polymeric to ionic and nonionic. The position of the chromaticity coordinates in yellow region of the color space gives an impression of white light generation from these coatings by exciting with a blue laser.

Impact of substrate nitridation on the photoluminescence and photovoltaic characteristics of GaN grown on p-Si (100) by molecular beam epitaxy

This report focuses on the structural and optical properties of the GaN films grown on p-Si (100) substrates along with photovoltaic characteristics of GaN/p-Si heterojunctions fabricated with substrate nitridation and in absence of substrate nitridation. The high resolution X-ray diffraction (HRXRD), atomic force microscopy (AFM), Raman and photoluminescence (PL) spectroscopic studies reveal that the significant enhancement in the structural as well as in the optical properties of GaN epifilms grown with silicon nitride buffer layer when compared with the sample grown without silicon nitride buffer layer. The low temperature PL shows a free excitonic (FX) emission peak at 3.51 eV at the temperature of 5 K with a very narrow line width of 35 meV. Temperature dependent PL spectra follow the Varshni equation well and peak energy blue shifts by similar to 63 meV from 300 to 5 K. Raman data confirms the strain free nature and reasonably good crystallinity of the films. The GaN/p-Si heterojunctions fabricated without substrate nitridation show a superior photovoltaic performance compared to the devices fabricated in presence of substrate nitridation. The discussions have been carried out on the junction properties. Such single junction devices exhibit a promising fill factor and conversion efficiency of 23.36 and 0.12 %, respectively, under concentrated AM1.5 illumination.

Structural, iono and thermoluminescence properties of heavy ion (100 MeV Si7+) bombarded Zn2SiO4:Sm3+ nanophosphor

Structural, iono (IL) and thermoluminescence (TL) studies of Zn2SiO4:Sm3+ (1-5 mol%) nanophosphor bombarded with swift heavy ions in the fluence range 3.91 x 10(12)-21.48 x 10(12) cm(-2) have been carried out. The average crystallite sizes for pristine and ion irradiated for 3.91 x 10(12) ions cm(-2) and 21.48 x 10(12) ions cm(-2) were found to be 34, 26 and 20 nm. With increase of ion fluence, the intensity of XRD peaks decreases and FWHM increases. The peak broadening indicates the stress induced point/clusters defects produced due to heavy ion irradiation. IL studies were carried out for different Sm3+ concentrations in Zn2SiO4 by irradiating with ion fluence of 15.62 x 10(12) ions cm(-2). The characteristic emission peaks at similar to 562, 599, 646 and 701 nm were recorded by exciting Si7+ ions in the fluence range 3.91 x 10(12)-21.48 x 10(12) ions cm(-2). These peaks were attributed to (4)G(5/2)-> H-6(5/2) (562 nm), (4)G(5/2)-> H-6(7/2) (599 nm), (4)G(5/2)-> H-6(9/2) (646 nm), and (4)G(5/2)-> H-6(5/2) (701 nm) transitions of Sm3+. The highest emission was recorded at 3 mol% of Sm3+ doped Zn2SiO4. TL studies were carried out for 3 mol% Sm3+ concentration in the fluence range 3.91 x 10(12)-21.48 x 10(12) ions cm(-2). Two U glow peaks at 152 and 223 degrees C were recorded. The kinetic parameters (E, b, and s), were estimated using Chen's peak shape method. Simple glow curve structure (223 degrees C), highly resistive, increase in TL. intensity up to 19.53 x 10(12) ions cm(-2), simple trap distribution makes Zn2SiO4:Sm3+ (3 mol%) phosphor highly useful in radiation dosimetry.

New rock salt-related oxides Li3M2RuO6 (M=Co, Ni): Synthesis, structure, magnetism and electrochemistry

We describe the synthesis, crystal structure, magnetic and electrochemical characterization of new rock salt-related oxides of formula, Li3M2RuO6 (M=Co, Ni). The M=Co oxide adopts the LiCoO2 (R-3m) structure, where sheets of LiO6 and (Co-2/Ru)O-6 octahedra are alternately stacked along the c-direction. The M=Ni oxide also adopts a similar layered structure related to Li2TiO3, where partial mixing of Li and Ni/Ru atoms lowers the symmetry to monoclinic (C2/c). Magnetic susceptibility measurements reveal that in Li3Co2RuO6, the oxidation states of transition metal ions are Co3+ (S=0), Co2+ (S=1/2) and Ru4+ (S=1), all of them in low-spin configuration and at 10 K, the material orders antiferromagnetically. Analogous Li3Ni2RuO6 presents a ferrimagnetic behavior with a Curie temperature of 100 K. The differences in the magnetic behavior have been explained in terms of differences in the crystal structure. Electrochemical studies correlate well with both magnetic properties and crystal structure. Li-transition metal intermixing may be at the origin of the more impeded oxidation of Li3Ni2RuO6 when compared to Li3CO2RuO6. Interestingly high first charge capacities (between ca. 160 and 180 mAh g(-1)) corresponding to ca. 2/3 of theoretical capacity are reached albeit, in both cases, capacity retention and cyclability are not satisfactory enough to consider these materials as alternatives to LiCoO2. (C) 2013 Elsevier Inc. All rights reserved.

Wurtzite InN nanodots on Si(100) by molecular beam epitaxy

Studies were carried on the growth behavior of InN nanodots by plasma assisted molecular beam epitaxy on bare Si(100) substrates and their structural, optical, electrical properties. The growth was carried out by two different methods such as, (i) mono-step growth process at a low temperature and a (ii) bi-step growth process with the combination of low and high temperatures for the formation of single crystalline nanodots with well defined crystallographic facets due to cluster migration. Low temperature photoluminescence shows a free excitonic (FE) luminescence at 0.80 eV. The Raman spectroscopy and X-ray diffraction studies reveal that the nanodots as well as the film were of wurtzite structure and strain free.

Experimental Study on Dead-Time Induced Oscillations in a 100-kW Open-Loop Induction Motor Drive

This paper reports instability and oscillations in the stator current under light-load conditions in a practical 100-kW induction motor drive. Dead-time is shown to be a cause for such oscillations. This paper shows experimentally that these oscillations could be mitigated significantly with the help of a simple dead-time compensation scheme.

Effect of angle of incidence on mixed convective wake dynamics and heat transfer past a square cylinder in cross flow at Re=100

In this paper, a numerical investigation is performed to study the mixed convective flow and heat transfer characteristics past a square cylinder in cross flow at incidence. Utilizing air (Pr = 0.71) as an operating fluid, computations are carried out at a representative Reynolds number (Re) of 100. Angles of incidences are varied as, 0 degrees <= alpha <= 45 degrees. Effect of superimposed positive and negative cross-flow buoyancy is brought about by varying the Richardson number (RI) in the range -1.0 <= Ri <= 1.0. The detail features of flow topology and heat transport are analyzed critically for different angles of incidences. The thermo fluidic forces acting on the cylinder during mixed convection are captured in terms of the drag (C-D), lift (C-L), and moment (C-M) coefficients. The results show that the lateral width of the cylinder wake reduces with increasing alpha and the isotherms spread out far wide. In the range 0 degrees < alpha < 45 degrees, C-D reduces with increasing Ri. The functional dependence of C-M with Ri reveals a linear relationship. Thermal boundary layer thickness reduces with increasing angle of incidences. The global rate of heat transfer from the cylinder increases with increasing alpha. (C) 2014 Elsevier Ltd. All rights reserved.

Effect of Post-Deposition Annealing on the Al2O3/Si(100) Interface Properties

In the present investigation, Al2O3 thin films were deposited onto Si < 100 > substrates by DC reactive magnetron sputtering. The films were annealed in vacuum for one hour at 623, 823 and 1023 K. The composition of the films was quantitatively estimated using X-ray photoelectron spectroscopy (XPS) and the O/Al ratio was found be in the range 1.19 to 1.43. Grazing incidence X-ray diffraction (GIXRD) results revealed that the annealed films are amorphous in nature. Cross sectional transmission electron microscopy (X-TEM) analysis was carried out to study the microstructure and nature of the Al2O3-Si interface as a function of post-deposition annealing. TEM results revealed the presence of nanocrystalline gamma-Al2O3 in the annealed films and an amorphous interface layer was observed at the Al2O3 Si interface. The thickness of the amorphous interface layer was determined from the TEM analysis and the results are discussed.

Magnetic skin layer of NiO(100) probed by polarization-dependent spectromicroscopy

Using polarization-dependent x-ray photoemission electron microscopy, we have investigated the surface effects on antiferromagnetic (AFM) domain formation. Depth-resolved information obtained from our study indicates the presence of strain-induced surface AFM domains on some of the cleaved NiO(100) crystals, which are unusually thinner than bulk AFM domain wall widths (similar to 150 nm). Existence of such magnetic skin layer is substantiated by exchange-coupled ferromagnetic Fe domains in Fe/NiO(100), thereby evidencing the influence of this surface AFM domains on interfacial magnetic coupling. Our observations demonstrate a depth evolution of AFM structure in presence of induced surface strain, while the surface symmetry-breaking in absence of induced strain does not modify the bulk AFM domain structure. Realization of such thin surface AFM layer will provide better microscopic understanding of the exchange bias phenomena. (C) 2014 AIP Publishing LLC.