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At least 1,045 records · Page 58
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DOE OSTI2014

Native defects affecting the Li atom distribution tune the optical emission of ZnO:Li epitaxial thin film

It is found that the oxygen vacancy (V{sub O}) defect concentration affecting the separation between individual species in Li{sub Zn}-Li{sub i} complex influences the optical emission property of Li{sub 0.06}Zn{sub 0.94}O epitaxial thin film grown by pulsed laser deposition. The film grown under low oxygen partial pressure (n-type conductivity)/higher partial pressure (resistive-type) has broad emission at ∼2.99 eV/∼2.1 eV and a narrower emission at 3.63 eV/3.56 eV, respectively. First principle based mBJLDA electronic structure calculation suggests that the emission at 2.99 eV is due to the Li{sub Zn}-Li{sub i} pair complex and the emission at 2.1 eV is when the component species are away from each other.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Control of magnetization reversal in oriented strontium ferrite thin films

Oriented Strontium Ferrite films with the c axis orientation were deposited with varying oxygen partial pressure on Al{sub 2}O{sub 3}(0001) substrate using Pulsed Laser Deposition technique. The angle dependent magnetic hysteresis, remanent coercivity, and temperature dependent coercivity had been employed to understand the magnetization reversal of these films. It was found that the Strontium Ferrite thin film grown at lower (higher) oxygen partial pressure shows Stoner-Wohlfarth type (Kondorsky like) reversal. The relative importance of pinning and nucleation processes during magnetization reversal is used to explain the type of the magnetization reversal with different oxygen partial pressure during growth.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Multi-wavelength Raman scattering of nanostructured Al-doped zinc oxide

In this work we present a detailed Raman scattering investigation of zinc oxide and aluminum-doped zinc oxide (AZO) films characterized by a variety of nanoscale structures and morphologies and synthesized by pulsed laser deposition under different oxygen pressure conditions. The comparison of Raman spectra for pure ZnO and AZO films with similar morphology at the nano/mesoscale allows to investigate the relation between Raman features (peak or band positions, width, relative intensity) and material properties such as local structural order, stoichiometry, and doping. Moreover Raman measurements with three different excitation lines (532, 457, and 325 nm) point out a strong correlation between vibrational and electronic properties. This observation confirms the relevance of a multi-wavelength Raman investigation to obtain a complete structural characterization of advanced doped oxide materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of oxygen pressure and aging on LaAlO{sub 3} films grown by pulsed laser deposition on SrTiO{sub 3} substrates

The crystal structures of LaAlO{sub 3} films grown by pulsed laser deposition on SrTiO{sub 3} substrates at oxygen pressure of 10{sup −3} millibars or 10{sup −5} millibars, where kinetics of ablated species hardly depend on oxygen background pressure, are compared. Our results show that the interface between LaAlO{sub 3} and SrTiO{sub 3} is sharper when the oxygen pressure is lower. Over time, the formation of various crystalline phases is observed while the crystalline thickness of the LaAlO{sub 3} layer remains unchanged. X-ray scattering as well as atomic force microscopy measurements indicate three-dimensional growth of such phases, which appear to be fed from an amorphous capping layer present in as-grown samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Structural and electronic modification of photovoltaic SnS by alloying

Emergence of a terawatt scalable photovoltaic (PV) thin film technology is currently impeded by the limited supply of relatively rare elements like In or Te, which has spurred active research in recent years on earth-abundant PV materials. Instead of searching for alternative PV materials, we approach the problem here by structural modification through alloying of a known PV material, namely, tin sulfide. Although SnS is a strong visible light absorber that is naturally p-doped, its indirect band gap reduces the open circuit voltage of SnS-based solar cells. The anisotropic crystal structure results in undesirable anisotropic transport properties. Based on the observation that the isoelectronic sulfides MgS, CaS, and SrS assume the rock-salt structure, we use ab initio calculations to explore the structure and electronic properties of metastable Sn{sub 1−x}(II){sub x}S (II = Mg, Ca, Sr) alloys, finding that the isotropic rock-salt phase is stabilized above x = 0.2–0.3, and predicting direct band gaps in the range of interest for PV applications, i.e., 0.6–1.5 eV for Ca and Sr alloying. We subsequently synthesized such Sn{sub 1−x}(Ca){sub x}S films by pulsed laser deposition, confirmed the cubic rock-salt structure, and observed optical band gaps between 1.1 and 1.3 eV. These results highlight the potential of structural modification by alloying as a route to widen the otherwise limited materials base for promising earth-abundant materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Epitaxial Ba{sub 2}IrO{sub 4} thin-films grown on SrTiO{sub 3} substrates by pulsed laser deposition

We have synthesized epitaxial Ba{sub 2}IrO{sub 4} (BIO) thin-films on SrTiO{sub 3} (001) substrates by pulsed laser deposition and studied their electronic structure by dc-transport and optical spectroscopic experiments. We have observed that BIO thin-films are insulating but close to the metal-insulator transition boundary with significantly smaller transport and optical gap energies than its sister compound, Sr{sub 2}IrO{sub 4}. Moreover, BIO thin-films have both an enhanced electronic bandwidth and electronic-correlation energy. Our results suggest that BIO thin-films have great potential for realizing the interesting physical properties predicted in layered iridates.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Study of the shape of an optical window in a super-resolution state by electromagnetic-thermal coupled simulation: Effects of melting of an active layer in an optical disc

We performed a multi-physics simulation for the propagation of electromagnetic waves and heat conduction in a super-resolution optical disc that includes an active layer of InSb. Because the change in the optical constant of InSb due to the phase transition is taken into account, the melting of the active layer can be realistically simulated in our calculation. It was found that in the case of an incident light power (P) of 2 mW, a profile of the electric field intensity transmitted through the InSb layer has an asymmetric shape with a narrow peak. This beam-narrowing was suggested to be an essential mechanism of the super-resolution, because a narrower light beam allows the detection of a smaller pit structure than the optical diffraction limit. This beam-narrowing was found to be originating from a small molten region produced in the InSb layer, which works as a mask for light exposure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A microstructural approach toward the effect of thickness on semiconductor-to-metal transition characteristics of VO{sub 2} epilayers

We report the control of semiconductor to metal transition in VO{sub 2}(010) epilayers integrated with Si(100) substrates buffered with an NiO[111]/YSZ[100] intermediate layer. VO{sub 2} epitaxial thin films were grown at different thicknesses varying from 10 to 200 nm using pulsed laser deposition technique. An epitaxial relationship of VO{sub 2}(010)‖NiO(111)‖ YSZ(001)‖Si(001) and VO{sub 2}[100]‖NiO[110]‖ YSZ[100]‖Si[100] was established at room temperature. The crystallographic alignment across the VO{sub 2}/NiO interface changes to VO{sub 2}(100)‖NiO(111) and VO{sub 2}[001]‖NiO[110] at the temperature of growth giving rise to a misfit strain of about 33.5% and 3.0% along two orthogonal in-plane orientations. The transition temperature was observed to vary from about 353 to 341 K, the transition amplitude increased by about five orders of magnitude, and the hysteresis decreased to about 3 K, as the thickness of VO{sub 2} layers increased from about 10 to 200 nm. These observations were explained based on strain characteristics, overall defect content and grain boundaries, and phenomenological thermodynamic models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Pulsed laser deposition of Mn doped CdSe quantum dots for improved solar cell performance

In this work, we demonstrate (1) a facile method to prepare Mn doped CdSe quantum dots (QDs) on Zn{sub 2}SnO{sub 4} photoanodes by pulsed laser deposition and (2) improved device performance of quantum dot sensitized solar cells of the Mn doped QDs (CdSe:Mn) compared to the undoped QDs (CdSe). The band diagram of photoanode Zn{sub 2}SnO{sub 4} and sensitizer CdSe:Mn QD is proposed based on the incident-photon-to-electron conversion efficiency (IPCE) data. Mn-modified band structure leads to absorption at longer wavelengths than the undoped CdSe QDs, which is due to the exchange splitting of the CdSe:Mn conduction band by the Mn dopant. Three-fold increase in the IPCE efficiency has also been observed for the Mn doped samples.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Origin of superstructures in (double) perovskite thin films

We have investigated the origin of superstructure peaks as observed by X-ray diffraction of multiferroic Bi(Fe{sub 0.5}Cr{sub 0.5})O{sub 3} thin films grown by pulsed laser deposition on single crystal SrTiO{sub 3} substrates. The photon energy dependence of the contrast between the atomic scattering factors of Fe and Cr is used to rule out a chemically ordered double perovskite Bi{sub 2}FeCrO{sub 6} (BFCO). Structural calculations suggest that the experimentally observed superstructure occurs due to unequal cation displacements along the pseudo-cubic [111] direction that mimic the unit cell of the chemically ordered compound. This result helps to clarify discrepancies in the correlations of structural and magnetic order reported for Bi{sub 2}FeCrO{sub 6}. The observation of a superstructure in itself is not a sufficient proof of chemical order in double perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Role of defects in BiFeO₃ multiferroic films and their local electronic structure by x-ray absorption spectroscopy

Present study reports the role of defects in the electrical transport in BiFeO₃ (BFO) multiferroic films and its local electronic structure investigated by near-edge X-ray absorption fine structure. Defects created by high energy 200 MeV Ag⁺¹⁵ ion irradiation with a fluence of ∼5 × 10¹¹ ions/cm² results in the increase in structural strain and reduction in the mobility of charge carriers and enhancement in resistive (I-V) and polarization (P-E) switching behaviour. At higher fluence of ∼5 × 10¹² ions/cm², there is a release in the structural strain due to local annealing effect, resulting in an increase in the mobility of charge carriers, which are released from oxygen vacancies and hence suppression in resistive and polarization switching. Near-edge X-ray absorption fine structure studies at Fe L₃,₂- and O K-edges show a significant change in the spectral features suggesting the modifications in the local electronic structure responsible for changes in the intrinsic magnetic moment and electrical transport properties of BFO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

MEMS tunable optical filter based on multi-ring resonator

We propose a novel MEMS tunable optical filter with a flat-top pass band based on multi-ring resonator in an electrostatically actuated microcantilever for communication application. The filter is basically structured on a microcantilever beam and built in optical integrated ring resonator which is placed in one end of the beam to gain maximum stress on the resonator. Thus, when a DC voltage is applied, the beam will bend, that induces a stress and strain in the ring, which brings a change in refractive index and perimeter of the rings leading to change in the output spectrum shift, providing the tenability as high as 0.68nm/μN and it is capable of tuning up to 1.7nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Observation of strongly enhanced inverse spin Hall voltage in Fe{sub 3}Si/GaAs structures

We performed spin pumping experiment on high quality, epitaxial Fe{sub 3}Si/GaAs structures grown by molecular beam epitaxy. By tailoring the thickness and doping (n, p) level of the conducting GaAs epi-layer, thermal heating common of ferromagnetic metal/semiconductor heterostructure was removed effectively. A large inverse spin Hall Effect (ISHE) voltage up to 49.2 μV was observed for Fe{sub 3}Si/p-GaAs. Smaller ISHE voltage (V{sub ISHE}) by a factor of ∼0.4 was obtained for Fe{sub 3}Si/n-GaAs, as scaled with its resistivity. By taking into account of the “self-induced” ISHE apparently observed in our samples, the minimum value of spin Hall angle θ{sub ISHE} for n-GaAs and p-GaAs was estimated to be 1.9 × 10{sup −4} and 2.8 × 10{sup −5}, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Probing hot-electron effects in wide area plasmonic surfaces using X-ray photoelectron spectroscopy

Plasmon enhanced hot carrier formation in metallic nanostructures increasingly attracts attention due to potential applications in photodetection, photocatalysis, and solar energy conversion. Here, hot-electron effects in nanoscale metal-insulator-metal (MIM) structures are investigated using a non-contact X-ray photoelectron spectroscopy based technique using continuous wave X-ray and laser excitations. The effects are observed through shifts of the binding energy of the top metal layer upon excitation with lasers of 445, 532, and 650 nm wavelength. The shifts are polarization dependent for plasmonic MIM grating structures fabricated by electron beam lithography. Wide area plasmonic MIM surfaces fabricated using a lithography free route by the dewetting of evaporated Ag on HfO{sub 2} exhibit polarization independent optical absorption and surface photovoltage. Using a simple model and making several assumptions about the magnitude of the photoemission current, the responsivity and external quantum efficiency of wide area plasmonic MIM surfaces are estimated as 500 nA/W and 11 × 10{sup −6} for 445 nm illumination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Defect-band mediated ferromagnetism in Gd-doped ZnO thin films

Gd-doped ZnO thin films prepared by pulsed laser deposition with Gd concentrations varying from 0.02–0.45 atomic percent (at. %) showed deposition oxygen pressure controlled ferromagnetism. Thin films prepared with Gd dopant levels (<Gd 0.112 at. %) at low oxygen deposition pressure (<25 mTorr) were ferromagnetic at room temperature. Negative magnetoresistance, electric transport properties showed that the ferromagnetic exchange is mediated by a spin-split defect band formed due to oxygen deficiency related defect complexes. Mott's theory of variable range of hopping conduction confirms the formation of the impurity/defect band near the Fermi level.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of SnO{sub 2} concentration on the tuning of optical and electrical properties of ZnO-SnO{sub 2} composite thin films

ZnO-SnO{sub 2} composite thin films have been deposited at 400 °C on glass substrates using targets of different SnO{sub 2} content (1 to 40 wt. %) by pulsed laser deposition technique. The structural, optical, and electrical properties of the composite films have been studied as a function of SnO{sub 2} content. It is revealed from X-ray diffraction analysis that films are crystalline in nature and the crystallite size decreases from 20–23 nm to 5–7 nm with increase of SnO{sub 2} content. X-ray photoelectron spectroscopy analysis indicates that Sn is predominantly doped into the ZnO lattice upto a SnO{sub 2} content of 15 wt. % in the composite. For higher concentration, a separate SnO{sub 2} phase is segregated in the composite. The band gap energy as well as the electrical conductivity can be tuned by varying the SnO{sub 2} content in the composite. Low temperature electrical conductivity measurements show three dominant conduction mechanisms in the temperature range of 20–300 K. At high temperature range of 200–300 K, thermal activation conduction process is dominant. Nearest neighbor hopping conduction mechanism, which occurs in the shallow impurity bands, is dominant in the temperature range of 90–200 K. In the low temperature range of 20–90 K, the electronic transport occurs through Mott's variable range hopping conduction process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electronic band structure of ZnO-rich highly mismatched ZnO{sub 1−x}Te{sub x} alloys

We synthesized ZnO{sub 1−x}Te{sub x} alloys with Te composition x < 0.23 by using pulsed laser deposition. Alloys with x < 0.06 are crystalline with a columnar growth structure while samples with higher Te content are polycrystalline with random grain orientation. Electron microscopy images show a random distribution of Te atoms with no observable clustering. We found that the incorporation of a small concentration of Te (x ∼ 0.003) redshifts the ZnO optical absorption edge by more than 1 eV. The minimum band gap obtained in this work is 1.8 eV for x = 0.23. The optical properties of the alloys are explained by the modification of the valence band of ZnO, due to the anticrossing interactions of the localized Te states with the ZnO valence band extended states. Hence, the observed large band gap reduction is primarily originating from the upward shift of the valence band edge. We show that the optical data can be explained by the band anticrossing model with the localized level of Te located at 0.95 eV above the ZnO valence band and the band anticrossing coupling constant of 1.35 eV. These parameters allow the prediction of the compositional dependence of the band gap as well as the conduction and the valence band offsets in the full composition range of ZnO{sub 1−x}Te{sub x} alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Design and simulation of a gyroklystron amplifier

In the present paper, a design methodology of the gyroklystron amplifier has been described and subsequently used for the design of a typically selected 200 kW, Ka-band, four-cavity gyroklystron amplifier. This conceptual device design has been validated through the 3D particle-in-cell (PIC) simulation and nonlinear analysis. Commercially available PIC simulation code “MAGIC” has been used for the electromagnetic study at the different location of the device RF interaction structure for the beam-absent case, i.e., eigenmode study as well as for the electron beam and RF wave interaction behaviour study in the beam present case of the gyroklystron. In addition, a practical problem of misalignment of the RF cavities with drift tubes within the tube has been also investigated and its effect on device performance studied. The analytical and simulation results confirmed the validity of the gyroklystron device design. The PIC simulation results of the present gyroklystron produced a stable RF output power of ∼218 kW for 0% velocity spread at 35 GHz, with ∼45 dB gain, 37% efficiency, and a bandwidth of 0.3% for a 70 kV, 8.2 A gyrating electron beam. The simulated values of RF output power have been found in agreement with the nonlinear analysis results within ∼5%. Further, the PIC simulation has been extended to study a practical problem of misalignment of the cavities axis and drift tube axis of the gyroklystron amplifier and found that the RF output power is more sensitive to misalignments in comparison to the device bandwidth. The present paper, gyroklystron device design, nonlinear analysis, and 3D PIC simulation using commercially available code had been systematically described would be of use to the high-power gyro-amplifier tube designers and research scientists.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗