Volume 117, Issue 19, 21 May 2015
Index of content:
The reliability of the circuits in the modern microelectronic devices remains, during last decades, one of the key topics in research and gains an attention for improving the promising candidates for conductors. Improvement of materials for such applications can be obtained by both electronic and compositional optimization. Ab initio calculations using full potential linearized augmented plane wave method in density functional theory are applied to explain the reduction in electromigration effect in the vicinity of grain boundaries (GB) in nano-structured Cu due to the segregation of some additives to the GB. Several possible mechanisms are considered. It is demonstrated that S atoms segregated to GB of nano-structured Cu lead to the growth of effective mass of the electrons. This decreases the mobility of electrons in external electric field, and, correspondingly, the momentum that they may transfer to atoms in collisions. Fe atoms segregated to GB of Cu create new empty states at the top of the valance band. These non-occupied states may stimulate the current of holes when external electric field is applied to the system, creating the “hole wind” in the direction opposite to the current of electrons. Such “hole wind” will compensate the forces generated by the electron current and therefore will reduce the total momentum transfer between charge carriers and atoms. The calculated electron density maps show that S and Fe segregating to Cu GB increases the strength of covalent bonds reducing the diffusion of Cu atoms in the vicinity of GB.
- Photonics, Plasmonics, Lasers, and Optical Phenomena
117(2015); http://dx.doi.org/10.1063/1.4921424View Description Hide Description
The test structures for photovoltaic (PV) applications based on zinc oxide nanorods (NRs) that were grown using a low-temperature hydrothermal method on p-type silicon substrates (100) covered with Ag nanoparticles (NPs) were studied. The NPs of three different diameters, i.e., 5–10 nm, 20-30 nm, and 50–60 nm, were deposited using a sputtering method. The morphology and crystallinity of the structures were confirmed by scanning electron microscopy and Raman spectroscopy. It was found that the nanorods have a hexagonal wurtzite structure. An analysis of the Raman and photoluminescence spectra permitted the identification of the surface modes at 476 cm−1 and 561 cm−1. The presence of these modes is evidence of nanorods oriented along the wurtzite c-axis. The NRs with Ag NPs were covered with a ZnO:Al (AZO) layer that was grown using the low-temperature atomic layer deposition technique. The AZO layer served as a transparent ohmic contact to the ZnO nanorods. The applicability of the AZO layer for this purpose and the influence of the Ag nanoparticles on the effectiveness of light acquisition by such prepared PV cells were checked by reflectance and transmittance measurements of the AZO/glass and AZO/NPs/glass reference structures. Based on these studies, the high-energy transmittance edge was assigned to the ZnO energy gap, although it is blueshifted with respect to the bulk ZnO energy gap because of Al doping. It was also shown that the most optimal PV performance is obtained from a structure containing Ag nanoparticles with a diameter of 20–30 nm. This result is confirmed by the current-voltage measurements performed with 1-sun illumination. The structures show a plasmonic effect within the short wavelength range: the PV response for the structure with Ag nanoparticles is twice that of the structure without the nanoparticles. However, the influence of the Ag nanoparticle diameters on the plasmonic effect is ambiguous.
117(2015); http://dx.doi.org/10.1063/1.4921436View Description Hide Description
The melt quenching method is used to prepare tellurite glasses co-activated with erbium ions and silver nanoparticles (Ag NPs). The glass samples are characterized by x-ray diffraction, UV-vis-NIR absorption, transmission electron microscopy (TEM) imaging, and photoluminescence spectroscopy. The XRD pattern shows no sharp peak indicating an amorphous nature of the glasses. The presence of Ag NPs is confirmed from TEM micrograph. The absorption spectra reveal not only the peaks due to Er3+ ions, but also the surface plasmon resonance band of silver NPs in the 510–535 nm range. The J-O model has been applied to the room temperature absorption intensities of Er3+ (4f11) transitions to establish the so-called J-O intensity parameters: Ω2, Ω4, and Ω6. The intensity parameters are used to determine the radiative decay rates (emission probabilities of transitions) and branching ratios of the Er3+ transitions from the excited state J manifolds to the lower-lying J' manifolds. Intensified of 1.53 μm band is obtained for the sample containing 0.5 mol. % of AgNO3 (Ag0.5 glass) using for excitation a laser operating at 980 nm. The simultaneous influence of the Ag NPs → Er3+ energy transfer and the contribution of the intensified local field effect due to the silver NPs give origin to the enhancement of both the Photoluminescence (PL) intensity and the PL lifetime relative to the 4I13/2 → 4I15/2 transition, whereas the quenching is ascribed to the energy transfer from Er3+ ions to silver NPs. Based on the analysis of the temperature dependence of the PL intensity and decay time, we identified a weak back transfer process from Er to the glass host that makes the quenching of the PL intensity weak. Large magnitudes of calculated emission cross-section (σe), effective bandwidth (Δλeff), and bandwidth quality factor (FWHM × σe) relatives to 4I13/2 → 4I15/2 transition in Er doped Ag0.5 glass have been shown. They indicate that this glass sample has good prospect as a gain medium applied for 1.53 μm band broad and high-gain erbium-doped fiber amplifiers.
- Electrical Discharges, Plasmas, and Plasma-Surface Interactions
117(2015); http://dx.doi.org/10.1063/1.4919918View Description Hide Description
We demonstrate the synthesis of hollow silicon carbide nanoparticles via a two-step process involving the non-thermal plasma synthesis of silicon nanoparticles, followed by their in-flight carbonization, also initiated by a non-thermal plasma. Simple geometric considerations associated with the expansion of the silicon lattice upon carbonization, in combination of the spherical geometry of the system, explain the formation of hollow nanostructures. This is in contrast with previous reports that justify the formation of hollow particles by means of out-diffusion of the core element, i.e., by the Kirkendall nanoscale effect. A theoretical analysis of the diffusion kinetics indicates that interaction with the ionized gas induces significant nanoparticle heating, allowing for the fast transport of carbon into the silicon particle and for the subsequent nucleation of the beta-silicon carbide phase. This work confirms the potential of non-thermal plasma processes for the synthesis of nanostructures composed of high-melting point materials, and suggests that such processes can be tuned to achieve morphological control.
117(2015); http://dx.doi.org/10.1063/1.4921532View Description Hide Description
Angular-resolved ion time-of-flight spectra as well as extreme ultraviolet radiation in laser-produced tin droplet plasma are investigated experimentally and theoretically. Tin droplets with a diameter of 150 μm are irradiated by a pulsed Nd:YAG laser. The ion time-of-flight spectra measured from the plasma formed by laser irradiation of the tin droplets are interpreted in terms of a theoretical elliptical Druyvesteyn distribution to deduce ion density distributions including kinetic temperatures of the plasma. The opacity of the plasma for extreme ultraviolet radiation is calculated based on the deduced ion densities and temperatures, and the angular distribution of extreme ultraviolet radiation is expressed as a function of the opacity using the Beer–Lambert law. Our results show that the calculated angular distribution of extreme ultraviolet radiation is in satisfactory agreement with the experimental data.
Tunable and efficient terahertz radiation generation by photomixing of two super Gaussian laser pulses in a corrugated magnetized plasma117(2015); http://dx.doi.org/10.1063/1.4921357View Description Hide Description
A scheme of terahertz (THz) radiation generation is investigated by photo-mixing of two super Gaussian laser beams having different frequencies and wave numbers in a performed corrugated plasma embedded with transverse dc magnetic field. Lasers exert a nonlinear ponderomotive force, imparting an oscillatory velocity to plasma electrons that couples with the density corrugations ( ) to generate a strong transient nonlinear current, that resonantly derives THz radiation of frequency ∼ (upper hybrid frequency). The periodicity of density corrugations is suitably chosen to transfer maximum momentum from lasers to THz radiation at phase matching conditions . The efficiency, power, beam quality, and tunability of the present scheme exhibit high dependency upon the applied transverse dc magnetic field along with q-indices and beam width parameters ( ) of super Gaussian lasers. In the present scheme, efficiency ∼10−2 is achieved with the optimization of all these parameters.
- Magnetism, Spintronics, and Superconductivity
Self-consistent Bloch equation for modeling element-specific demagnetization of magnetic alloys and multilayers117(2015); http://dx.doi.org/10.1063/1.4921113View Description Hide Description
Magnetization dynamics of magnetic alloys and multilayers at high temperatures are studied by solving the self-consistent Bloch equation. Upon a fast rise of the temperature, usually driven by a strong femtosecond laser pulse, the element-specific demagnetization shows rich dynamic characteristics. We find that the demagnetization time scales could differ substantially for each constitutes in the same alloy. We discuss plausible reasons for the experimental results of the laser induced magnetization switching of GdFe ferrimagnetic compounds.
117(2015); http://dx.doi.org/10.1063/1.4920991View Description Hide Description
We present the switching characteristics of a spin-transfer device that incorporates a perpendicularly magnetized spin-polarizing layer with an in-plane magnetized free and fixed magnetic layer, known as an orthogonal spin transfer spin valve device. This device shows clear switching between parallel (P) and antiparallel (AP) resistance states and the reverse transition (AP → P) for both current polarities. Further, hysteretic transitions are shown to occur into a state with a resistance intermediate between that of the P and AP states, again for both current polarities. These unusual spin-transfer switching characteristics can be explained within a simple macrospin model that incorporates thermal fluctuations and considers a spin-polarized current that is tilted with respect to the free layer's plane, due to the presence of the spin-transfer torque from the polarizing layer.
117(2015); http://dx.doi.org/10.1063/1.4921291View Description Hide Description
High-fidelity control and unprecedented long dephasing times in silicon-based single spin qubits have recently confirmed the prospects of solid-state quantum computation. We investigate the feasibility of using a micro-magnet stray field for all-electrical, addressable spin qubit control in a Si/SiGe double quantum dot. For a micro-magnet geometry optimized for high Rabi-frequency, addressability, and robustness to fabrication misalignment as previously demonstrated by Yoneda et al. [Phys. Rev. Lett. 113, 267601 (2014)], we simulate the qubit decoherence due to magnetic stray-field fluctuations, which may dominate in nuclear spin-free systems, e.g., quantum dots in Si/SiGe, Si-MOS structures and (bilayer) graphene. With calculated Rabi-frequencies of 15 MHz, a qubit addressability error below 10−3 is achievable. Magnetic fluctuations from a micro-magnet limits the spin relaxation time to T 1 ≳ 3 s, while pure spin dephasing is negligible. Our results show that micro-magnets are a promising tool for spin qubit computation in nuclear spin-free systems.
117(2015); http://dx.doi.org/10.1063/1.4921360View Description Hide Description
We report the observation of large low temperature magnetocaloric effect and magnetoresistance in the rare-earth based intermetallic compound HoCu2. The compound undergoes an antiferromagnetic type ordering below about TN = 10.5 K, which is second order in nature. The magnetocaloric effect in terms of entropy change under the application of 50 kOe of field is found to have a maximum value of −19.3 J kg−1 K−1 peaking around TN , and an appreciable value of relative cooling power of 268 J kg−1 was associated with it. The sample also shows giant negative magnetoresistance with its value as high as −36.5% around TN for 50 kOe of field. Field induced second order metamagnetic transition is found to be responsible for the observed magnetocaloric and magnetoresistance behaviors in the sample. The sample is devoid of any thermal or field hysteresis by virtue of the second order nature of the transitions, which enables us to exploit large reversible magnetic cooling at cryogenic temperatures.
117(2015); http://dx.doi.org/10.1063/1.4921361View Description Hide Description
We have investigated the magnetostatic interactions between wire-tube nanostructures. We have observed that the coercivity of the array decreases when the distance between the nanostructures decreases. Besides, when the external magnetic field is applied along the axis of the nanostructures, the two Barkhausen jumps observed for an isolated wire-tube nanostructure give rise to several minor jumps for a weakly interacting array, which eventually become a single jump for the most interacting case. Additionally, the angle θ at which maximum coercivity is obtained varies as a function of the center-to-center distance between the nanostructures, while those remanences obtained for arrays with different distances between the nanostructures coincide. In this way, the study of magnetostatic interactions between wire-tube nanostructures is an interesting topic of research in connection with potential applications where it is usually desirable to avoid such interactions or at least control them.
Local electronic states of Fe4N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism117(2015); http://dx.doi.org/10.1063/1.4921431View Description Hide Description
We performed x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) measurements at Fe L 2,3 and N K-edges for Fe4N epitaxial films grown by molecular beam epitaxy. In order to clarify the element specific local electronic structure of Fe4N, we compared experimentally obtained XAS and XMCD spectra with those simulated by a combination of a first-principles calculation and Fermi's golden rule. We revealed that the shoulders observed at Fe L 2,3-edges in the XAS and XMCD spectra were due to the electric dipole transition from the Fe 2p core-level to the hybridization state generated by σ* anti-bonding between the orbitals of N 2p at the body-centered site and Fe 3d on the face-centered (II) sites. Thus, the observed shoulders were attributed to the local electronic structure of Fe atoms at II sites. As to the N K-edge, the line shape of the obtained spectra was explained by the dipole transition from the N 1s core-level to the hybridization state formed by π* and σ* anti-bondings between the Fe 3d and N 2p orbitals. This hybridization plays an important role in featuring the electronic structures and physical properties of Fe4N.
117(2015); http://dx.doi.org/10.1063/1.4921435View Description Hide Description
We report on the epitaxial growth and magnetic properties of Cr2O3 thin films grown on r-sapphire substrate using pulsed laser deposition. The X-ray diffraction (XRD) (2θ and Φ) and TEM characterization confirm that the films are grown epitaxially. The r-plane ( ) of Cr2O3 grows on r-plane of sapphire. The epitaxial relations can be written as [ ] Cr2O3 ‖ [ ] Al2O3 (out-of-plane) and Cr2O3 ‖ Al2O3 (in-plane). The as-deposited films showed ferromagnetic behavior up to 400 K but ferromagnetism almost vanishes with oxygen annealing. The Raman spectroscopy data together with strain measurements using high resolution XRD indicate that ferromagnetism in r-Cr2O3 thin films is due to the strain caused by defects, such as oxygen vacancies.
117(2015); http://dx.doi.org/10.1063/1.4919593View Description Hide Description
An investigation of the Y2Fe17 compound belonging to the class of intermetallic alloys of rare-earth and 3d-transition metals is presented. The magnetization, magnetostriction, and thermal expansion of the Y2Fe17 single crystal were studied. The forced magnetostriction and magnetostriction constants were investigated in the temperature range of the magnetic ordering close to the room temperature. The giant field induced volume magnetostriction was discovered in the room temperature region in the magnetic field up to 1.2 T. The contributions of both anisotropic single-ion and isotropic pair exchange interactions to the volume magnetostriction and magnetostriction constants were determined. The experimental results were interpreted within the framework of the Standard Theory of Magnetostriction and the Landau thermodynamic theory. It was found out that the giant values of the volume magnetostriction were caused by the strong dependence of the 3d-electron Coulomb charge repulsion on the deformations and width of the 3d-electron energy band.
Rigorous numerical study of strong microwave photon-magnon coupling in all-dielectric magnetic multilayers117(2015); http://dx.doi.org/10.1063/1.4921535View Description Hide Description
We demonstrate theoretically a ∼350-fold local enhancement of the intensity of the in-plane microwave magnetic field in multilayered structures made from a magneto-insulating yttrium iron garnet (YIG) layer sandwiched between two non-magnetic layers with a high dielectric constant matching that of YIG. The enhancement is predicted for the excitation regime when the microwave magnetic field is induced inside the multilayer by the transducer of a stripline Broadband Ferromagnetic Resonance (BFMR) setup. By means of a rigorous numerical solution of the Landau-Lifshitz-Gilbert equation consistently with the Maxwell's equations, we investigate the magnetisation dynamics in the multilayer. We reveal a strong photon-magnon coupling, which manifests itself as anti-crossing of the ferromagnetic resonance magnon mode supported by the YIG layer and the electromagnetic resonance mode supported by the whole multilayered structure. The frequency of the magnon mode depends on the external static magnetic field, which in our case is applied tangentially to the multilayer in the direction perpendicular to the microwave magnetic field induced by the stripline of the BFMR setup. The frequency of the electromagnetic mode is independent of the static magnetic field. Consequently, the predicted photon-magnon coupling is sensitive to the applied magnetic field and thus can be used in magnetically tuneable metamaterials based on simultaneously negative permittivity and permeability achievable thanks to the YIG layer. We also suggest that the predicted photon-magnon coupling may find applications in microwave quantum information systems.
- Dielectrics, Ferroelectrics, and Multiferroics
117(2015); http://dx.doi.org/10.1063/1.4919815View Description Hide Description
The influence of uniaxial compressive stress on the small signal direct piezoelectric coefficient of hard and soft Pb(Zr,Ti)O3 at the morphotropic phase boundary was investigated as a function of temperature from 25 °C to 450 °C. The stress- and temperature-dependent piezoelectric data indicate that stress is capable of either directly or indirectly modifying the orientation of polar defects in the crystal lattice and reduce the internal bias field. At higher temperatures, the mobility of polar defects was found to increase, corresponding to a two-step decrease in the direct piezoelectric coefficient and a decrease in the frequency dispersion. Quenching experiments were used to elucidate the role of the internal bias field on the stress-dependent piezoelectric response.
117(2015); http://dx.doi.org/10.1063/1.4921459View Description Hide Description
Ions doping-driven structural phase transition accompanied by magnetism switching and band-gap narrowing effects has been observed in PbTi1− x Ni x O3−δ (xPTNO, x = 0.00, 0.06, and 0.33) thin films. With the increase of x, the xPTNO thin films exhibit not only a phase transition from the pseudotetragonal structure to a centrosymmetric cubic structure but also a drastic decrease of grain size. Moreover, the as-grown Ni-doped PbTiO3 (PTO) thin films show obvious room-temperature ferromagnetism and an increased saturation magnetization with increasing the Ni content, in contrast to undoped PTO, which shows diamagnetism. A bound magnetic polaron model was proposed to understand the observed ferromagnetic behavior of PTO-derived perovskite thin films. Furthermore, the 0.33PTNO thin film presents a narrowed band-gap, much smaller than that of PTO, which is attributed to new states of both the highest occupied molecular orbital and the lowest unoccupied molecular orbital in an electronic structure with the presence of Ni. These findings may open up a route to explore promising perovskite oxides as candidate materials for use in multiferroics and solar-energy devices.
Oxygen octahedra distortion induced structural and magnetic phase transitions in Bi1−xCaxFe1−xMnxO3 ceramics117(2015); http://dx.doi.org/10.1063/1.4921433View Description Hide Description
The co-doping of Ca and Mn in respective Bi and Fe-sites of BiFeO3 lattice leads to structural transition from rhombohedral (R3c space group) to orthorhombic (Pbnm space group) crystal symmetry. The tilt angle for anti-phase rotation of the oxygen octahedra of BiFeO3 at room temperature is observed to be ∼13.8°. It decreases with the increase in the co-doping percentage which suggests the composition-driven structural phase transition. The remnant magnetization for sample with 15% of co-doping becomes about 16 times that of BiFeO3. It may be attributed to the suppression of cycloid spin structure and uncompensated spins at the surface of nanocrystallites. Further increase in co-doping percentage results in the sharp reduction of remnant magnetization due to the dominant contribution from the collinear antiferromagnetic ordering in the Pbnm space group. The Arrott plot analysis clearly indicates the composition-driven crossover from the antiferromagnetic to weak ferromagnetic ordering and vice versa. Electron spin resonance results provide the evidence for the composition-driven phase transitions from an incommensurate spin cycloidal modulated state to one with nearly homogeneous spin order. The band gap (2.17 eV) of BiFeO3 measured using UV-Vis spectra was supported by the resonance Raman spectra.
Bright reddish-orange emission and good piezoelectric properties of Sm2O3-modified (K0.5Na0.5)NbO3-based lead-free piezoelectric ceramics117(2015); http://dx.doi.org/10.1063/1.4921451View Description Hide Description
Reddish orange-emitting 0.948(K0.5 Na 0.5)NbO3-0.052LiSbO3-xmol%Sm2O3 (KNN-5.2LS-xSm2O3) lead-free piezoelectric ceramics with good piezoelectric properties were fabricated in this study, and the photoluminescence and electrical properties of the ceramics were systematically studied. Results showed that Sm2O3 substitution into KNN-5.2LS induces a phase transition from the coexistence of orthorhombic and tetragonal phases to a pseudocubic phase and shifts the polymorphic phase transition (PPT) to below room temperature. The temperature stability and fatigue resistance of the modified ceramics were significantly improved by Sm2O3 substitution. The KNN-5.2LS ceramic with 0.4 mol. % Sm2O3 exhibited temperature-independent properties (25–150 °C), fatigue-free behavior (up to 106 cycles), and good piezoelectric properties (d 33 * = 230 pm/V, d 33 = 176 pC/N, k p = 35%). Studies on the photoluminescence properties of the samples showed strong reddish-orange emission upon blue light excitation; these emission intensities were strongly dependent on the doping concentration and sintering temperature. The 0.4 mol. % Sm2O3-modified sample exhibited temperature responses over a wide temperature range of 10–443 K. The maximum sensing sensitivity of the sample was 7.5 × 10−4 K at 293 K, at which point PPT occurred. A relatively long decay lifetime τ of 1.27–1.40 ms and a large quantum yield η of 0.17–0.19 were obtained from the Sm-modified samples. These results suggest that the KNN-5.2LS-xSm2O3 system presents multifunctional properties and significant technological potential in novel multifunctional devices.
- Physics of Nanoscale, Mesoscale, and Low-Dimensional Systems
Core structures analyses of (a+c)-edge dislocations in wurtzite GaN through atomistic simulations and Peierls–Nabarro model117(2015); http://dx.doi.org/10.1063/1.4921289View Description Hide Description
The core structures and slip characteristics of (a+c)-edge dislocations on pyramidal planes in wurtzite GaN were investigated employing molecular dynamics simulations. Multiple stable core configurations are identified for dislocations along the glide and shuffle planes. The corresponding generalized-stacking-fault energy (GSFE) curves for the glide and shuffle slips are calculated. The GSFE curves, combined with the Peierls–Nabarro model, demonstrate that the shuffle slip is favored over the glide slip given the markedly lower Peierls energy and stress of the shuffle slip. Our findings also indicate that in general slip motions for (a+c)-edge dislocations are only possible at elevated temperature, and the necessity of further studies of thermally activated processes to better understand the dynamics of (a+c) dislocations in GaN.
117(2015); http://dx.doi.org/10.1063/1.4921053View Description Hide Description
Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.