Au@Si-n: Growth behavior, stability and electronic structure

The configurations, stability, and electronic structure of AuSin (n = 1-16) clusters have been investigated within the framework of the density functional theory at the B3PW91/LanL2DZ and PW91/DNP levels. The results show that the Au atom begins to occupy the interior site for cages as small as Si-11 and for Si-12 the Au atom completely falls into the interior site forming Au@Si-12 cage. A relatively large embedding energy and small HOMO-LUMO gap are also found for this Au@Si-12 structure indicating enhanced chemical activity and good electronic transfer properties. All these make Au@Si-12 attractive for cluster-assembled materials.

Dynamics of photo-enhanced magneto-crystalline anisotropy in diluted ferromagnetic GaMnAs

By chopping a pump beam in conventional time-resolved Kerr rotation (TRKR) experiments and measuring the time evolution of M-shaped "major" hysteresis loops of magnetic linear dichroism (Delta MLD = MLDpump-on MLDpump-off), the differential MLD signal in the presence and the absence of the pump beam, we studied the dynamics of photo-enhanced magneto-crystalline anisotropy, and found that its very long recovering time (much longer than 13 ns) might reflect the nature of the coherent coupling between photo-excited holes and localized spins in the d shell of manganese.

Ferromagnetic modification of GaN film by Cu+ ions implantation

The structural and magnetic properties of Cu+ ions-implanted GaN films have been reported. Eighty kilo-electron-volt Cu+ ions were implanted into n-type GaN film at room temperature with fluences ranging from 1 x 10(16) to 8 x 10(16) cm(-2) and subsequently annealed at 800 degrees C for 1 h in N-2 ambient. PIXE was employed to determine the Cu-implanted content. The magnetic property was measured by the Quantum Design MPMS SQUID magnetometer. No secondary phases or clusters were detected within the sensitivity of XRD. Raman spectrum measurement showed that the Cu ions incorporated into the crystal lattice positions of GaN through substitution of Ga atoms. Apparent ferromagnetic hysteresis loops measured at 10 K were presented. The experimental result showed that the ferromagnetic signal strongly increased with Cu-implanted fluence from 1 x 10(16) to 8 x 10(16) cm(-2).

Origin of insulating behavior of the p-type LaAlO3/SrTiO3 interface: Polarization-induced asymmetric distribution of oxygen vacancies

It is revealed from first-principles calculations that polarization-induced asymmetric distribution of oxygen vacancies plays an important role in the insulating behavior at p-type LaAlO3/SrTiO3 interface. The formation energy of the oxygen vacancy (V-O) is much smaller than that at the surface of the LaAlO3 overlayer, causing all the carriers to be compensated by the spontaneously formed V-O's at the interface. In contrast, at an n-type interface, the formation energy of V-O is much higher than that at the surface, and the V-O's formed at the surface enhance the carrier density at the interface. This explains the puzzling behavior of why the p-type interface is always insulating but the n-type interface can be conducting.

First-principles study of transition metal impurities in Si

By using ab initio electronic structure calculations within density functional theory, we study the structural, electronic, and magnetic properties of Si doped with a transition metal impurity. We consider the transition metals of the 3d series V, Cr, Mn, Fe, Co, and Ni. To get insight into the level filling mechanism and the magnetization saturation, we first investigate the transition metal-Si alloys in the zinc-blende structure. Next, we investigate the doping of bulk Si with a transition metal atom, in which it occupies the substitutional site, the interstitial site with tetrahedral symmetry, and the interstitial site with hexagonal symmetry. It is found that all of these transition metal impurities prefer an interstitial position in Si. Furthermore, we show that it is possible to interpret the electronic and magnetic properties by using a simple level filling picture and a comparison is made to Ge doped with the same transition metal atoms. In order to get insight into the effect of a strained environment, we calculate the formation energy as a function of an applied homogeneous pressure and we show that an applied pressure can stabilize the substitutional position of transition metal impurities in Si. Finally, the energies of the ferromagnetic states are compared to those of the antiferromagnetic states. It is shown that the interstitial site of the Mn dopant helps us to stabilize the nearest neighbor substitutional site to realize the ferromagnetic state. For doping of Si with Cr, a ferrimagnetic behavior is predicted.

Thermodynamic properties of Cu-3(CO3)(2)(OH)(2) and the spin-1/2 distorted diamond Heisenberg chain

The thermodynamic properties of the spin-1/2 diamond quantum Heisenberg chain model have been investigated by means of the transfer matrix renormalization group (TMRG) method. Considering different crystal structures, by changing the interactions among different spins and the external magnetic fields, we first investigate the magnetic susceptibility, magnetization, and specific heat of the distorted diamond chain as a model of ferrimagnetic spin systems. The susceptibility and the specific heat show different features for different ferromagnetic (F) and antiferromagnetic (AF) interactions and different magnetic fields. A 1/3 magnetization plateau is observed at low temperature in a magnetization curve. Then, we discuss the theoretical mechanism of the double-peak structure of the magnetic susceptibility and the three-peak structure of the specific heat of the compound Cu-3(CO3)(2)(OH)(2), on which an elegant measurement was performed by Kikuchi [Phys. Rev. Lett. 94, 227201 (2005)]. Our computed results are consistent with the main characteristics of the experimental data. Meanwhile, we find that the double-peak structure of susceptibility can be found in several different kinds of spin interactions in the diamond chain. Moreover, a three-peak behavior is observed in the TMRG results of magnetic susceptibility. In addition, we perform calculations relevant for some experiments and explain the characteristics of these materials. (c) 2007 American Institute of Physics.

Narrowing of band gap and low-temperature spin glass behavior of FeNi co-doped ZnO nanowires

This letter reports on the Raman, optical and magnetic properties of FeNi co-doped ZnO nanowires prepared via a soft chemical solution method. The microstructural investigations show that the NiFe co-dopants are substituted into wurtzite ZnO nanostructure without forming any secondary phase. The co-doped nanowires show a remarkable reduction of 34 nm (267.9 meV) in the optical band gap, while suppression in the deep-level defect transition in visible luminescence. Furthermore, these nanowires exhibit ferromagnetism and an interesting low-temperature spin glass behavior, which may arise due to the presence of disorder and strong interactions of frustrated spin moments of Ni and Fe co-dopants on the ZnO lattice sites. Copyright (C) EPLA, 2009

Mechanical Deformation Behavior of Nonpolar GaN Thick Films by Berkovich Nanoindentation

In this study, the deformation mechanisms of nonpolar GaN thick films grown on m-sapphire by hydride vapor phase epitaxy (HVPE) are investigated using nanoindentation with a Berkovich indenter, cathodoluminescence (CL), and Raman microscopy. Results show that nonpolar GaN is more susceptible to plastic deformation and has lower hardness than c-plane GaN. After indentation, lateral cracks emerge on the nonpolar GaN surface and preferentially propagate parallel to the < 11 (2) over bar0 > orientation due to anisotropic defect-related stresses. Moreover, the quenching of CL luminescence can be observed to extend exclusively out from the center of the indentations along the < 11 (2) over bar0 > orientation, a trend which is consistent with the evolution of cracks. The recrystallization process happens in the indented regions for the load of 500 mN. Raman area mapping indicates that the distribution of strain field coincides well with the profile of defect-expanded dark regions, while the enhanced compressive stress mainly concentrates in the facets of the indentation.

Room Temperature Ferromagnetism of Mn Implanted AlInN

Ferromagnetic properties of Mn-implanted wurtzite AlxIn1-xN/GaN thin films grown by metal organic chemical vapor deposition (MOCVD) were observed using a quantum design superconducting quantum interference device (SQUID) magnetometer. Hysteresis behavior with a reasonably high saturation magnetic moment at room temperature for all the samples was noted, Two optical thresholds were observed at 1.58 and 2.64 eV, which are attributed to internal transition (E-5 -> T-5(2)) of Mn3+ (d(4)) and hole emission from the neutral Mn acceptor level to the valence band respectively. Bound magnetic polaron formation is considered to be the origin of ferromagnetism in our samples. (c) 2009 The Japan Society of Applied Physics

Effect of counterpart on the tribological behavior and tribo-induced phase transformation of Si

The tribological behaviors and phase transformation of single crystal silicon against Si3N4, Ruby and steel were investigated in this study. It was found that the strong chemical action between silicon and Fe was the key factor to the tribological behavior of silicon as slid against steel. SEM and Raman spectroscopy indicated that phase transformation of single crystal silicon occurred during the running-in period at low sliding velocity as slid against Si3N4 and Ruby. and gave birth to single or a mixture phase of Si-III, Si-XII and amorphous silicon. The high hardness of counterpart and the absence of chemical action between silicon and counterpart facilitated the phase transformation of single crystal silicon. (C) 2008 Elsevier Ltd. All rights reserved.

Growth behavior of AlInGaN films

The structural and surface properties of AlInGaN quaternary films grown at different temperatures on GaN templates by metalorganic chemical vapor deposition are investigated. Formation of two quaternary layers is confirmed and the difference between them is pronounced when the growth temperature is increased. The surface is featured with V-shaped pits and cracks, whose characteristics are further found to be strongly dependent on the growth temperature of AlInGaN layers. The two-layer structure is interpreted by taking into account of the strain status in AlInGaN layers. (C) 2008 Elsevier B.V. All rights reserved.

Anomalous Pressure Behavior of N-Cluster Emissions in GaAs0.973Sb0.022N0.005

Photoluminescence of GaAs0.973Sb0.022N0.005 is investigated at different temperatures and pressures. Both the alloy band edge and the N-related emissions, which show different temperature and pressure dependences, are observed. The pressure coefficients obtained in the pressure range 0-1.4GPa for the band edge and N-related emissions are 67 and 45 meV/GPa, respectively. The N-related emissions shift to a higher energy in the lower pressure range and then begin to redshift at about 8.5 GPa. This redshift is possibly caused by the increase of the X-valley component in the N-related states with increasing pressure.

Low-temperature magnetotransport behaviors of heavily Mn-doped (Ga,Mn)As films with high ferromagnetic transition temperature

We report the low-temperature magnetotransport behaviors of (Ga,Mn)As films with the nominal Mn concentration x larger than 10%. The ferromagnetic transition temperature T-C can be enhanced to 191 K after postgrowth annealing (Ga,Mn)As with x=20%. The temperature T-m, corresponding to the resistivity minimum in the curve of resistivity versus temperature at temperature below T-C, depends on Mn concentration, annealing condition, and magnetic field. Moreover, we find that the variable-range hopping may be the main conductive mechanism when temperature is lower than T-m.

Generation and behavior of pure-edge threading misfit dislocations in InxGa1-xN/GaN multiple quantum wells

The relaxation of the misfit strain by the formation of misfit dislocations in InxGa1-xN/GaN multiple quantum wells grown by metal-organic chemical-vapor deposition was investigated by the cross-sectional transmission electron microscopy, double crystal x-ray diffraction, and temperature-dependent photoluminescence. It is found that the misfit dislocations generated from strain relaxation are all pure-edge threading dislocations with burgers vectors of b=1/3<11 (2) over bar0>. The misfit dislocations arise from the strain relaxation due to the thickness of strained layer greater than the critical thickness. The relaxation of strained layer was mainly achieved by the formation of dislocations and localization of In, while the dislocations changed their slip planes from {0001} to {10 (1) over bar0}. With the increasing temperature, the efficiency of photoluminescence decrease sharply. It indicates that the relaxation of the misfit strain has a strong effect on optical efficiency of film. (C) 2004 American Institute of Physics.

Formation of ferromagnetic clusters in GaAs matrix and GaAs/AlGaAs superlattice through Mn ion implantation at two different temperatures

Different submicron ferromagnets are fabricated into GaAs and GaAs/AlGaAs superlattice through ion implantation at two different temperatures followed by thermal annealing. The structural and magnetic properties of the granular film are studied by an atomic force microscope, X-ray diffraction and alternating gradient magnetometer. By analyzing the saturation magnetization M-s, remanence M-r, coercivity H-c and remanence ratio S-q, it is confirmed that both MnGa and MnAs clusters are formed in the 350degreesC-implanted samples whereas only MnAs clusters are formed in the room-temperature implanted samples. (C) 2004 Elsevier B.V. All rights reserved.