Showing papers in "Journal of Applied Physics in 2015"

The origin of ferroelectricity in Hf1−xZrxO2: A computational investigation and a surface energy model

Abstract: The structural, thermal, and dielectric properties of the ferroelectric phase of HfO2, ZrO2, and Hf0.5Zr0.5O2 (HZO) are investigated with carefully validated density functional computations. We find that the free bulk energy of the ferroelectric orthorhombic Pca21 phase is unfavorable compared to the monoclinic P21/c and the orthorhombic Pbca phase for all investigated stoichiometries in the Hf1−xZrxO2 system. To explain the existence of the ferroelectric phase in nanoscale thin films, we explore the Gibbs/Helmholtz free energies as a function of stress and film strain and find them unlikely to become minimal in HZO films for technological relevant conditions. To assess the contribution of surface energy to the phase stability, we parameterize a model, interpolating between existing data, and find the Helmholtz free energy of ferroelectric grains minimal for a range of size and stoichiometry. From the model, we predict undoped HfO2 to be ferroelectric for a grain size of about 4 nm and epitaxial HZO below 5 nm. Furthermore, we calculate the strength of an applied electric field necessary to cause the antiferroelectric phase transformation in ZrO2 from the P42/nmc phase as 1 MV/cm in agreement with experimental data, explaining the mechanism of field induced phase transformation.

Stabilizing the ferroelectric phase in doped hafnium oxide

Abstract: The ferroelectric properties and crystal structure of doped HfO2 thin films were investigated for different thicknesses, electrode materials, and annealing conditions Metal-ferroelectric-metal capacitors containing Gd:HfO2 showed no reduction of the polarization within the studied thickness range, in contrast to hafnia films with other dopants A qualitative model describing the influence of basic process parameters on the crystal structure of HfO2 was proposed The influence of different structural parameters on the field cycling behavior was examined This revealed the wake-up effect in doped HfO2 to be dominated by interface induced effects, rather than a field induced phase transition TaN electrodes were shown to considerably enhance the stabilization of the ferroelectric phase in HfO2 compared to TiN electrodes, yielding a Pr of up to 35 μC/cm2 This effect was attributed to the interface oxidation of the electrodes during annealing, resulting in a different density of oxygen vacancies in the Gd:Hf

Multifunctional surfaces produced by femtosecond laser pulses

Abstract: In this study, we create a multifunctional metal surface by producing a hierarchical nano/microstructure with femtosecond laser pulses. The multifunctional surface exhibits combined effects of dramatically enhanced broadband absorption, superhydrophobicity, and self-cleaning. The superhydrophobic effect is demonstrated by a falling water droplet repelled away from a structured surface with 30% of the droplet kinetic energy conserved, while the self-cleaning effect is shown by each water droplet taking away a significant amount of dust particles on the altered surface. The multifunctional surface is useful for light collection and water/dust repelling.

A novel dual-band terahertz metamaterial absorber for a sensor application

Abstract: We present a new type of dual-band terahertz metamaterial absorber formed by a patterned metallic strip and a dielectric layer on top of a metallic ground plane. It is found that besides a strong absorption in the fundamental resonance, a prominent high-order resonance with near-unity absorption is also unveiled. The origin of the induced dual-band absorption was elucidated. Importantly, the quality factor (Q) and the figure of merit (FOM) of the high-order resonance are 8.4 and 22.7 times larger than that of the fundamental resonance, respectively, which makes the proposed absorber to have significant potential in biological monitoring and sensing. Moreover, we demonstrate a dual-band and insensitive for two orthogonal polarizations terahertz absorber based on a metallic cross and a metallic ground plane separated by a dielectric layer. The Q and FOM of the high-order resonance are still larger than that of the fundamental resonance. The proposed absorbers appear to be very promising for solar cells, detection, and imaging applications.

Elastocaloric effect of Ni-Ti wire for application in a cooling device

Abstract: We report on the elastocaloric effect of a superelastic Ni-Ti wire to be used in a cooling device. Initially, each evaluated wire was subjected to 400 loading/unloading training cycles in order to stabilize its superelastic behavior. The wires were trained at different temperatures, which lead to different stabilized superelastic behaviors. The stabilized (trained) wires were further tested isothermally (at low strain-rate) and adiabatically (at high strain-rate) at different temperatures (from 312 K to 342 K). We studied the impact of the training temperature and resulting superelastic behavior on the adiabatic temperature changes. The largest measured adiabatic temperature change during loading was 25 K with a corresponding 21 K change during unloading (at 322 K). A special focus was put on the irreversibilities in the adiabatic temperature changes between loading and unloading. It was shown that there are two sources of the temperature irreversibilities: the hysteresis (and related entropy generation) and the temporary residual strain immediately after unloading, respectively. The latter results in the temporary bending of the wire and reduced negative adiabatic temperature change. The paper also shows the impact of the applied strain on the adiabatic temperature changes as well as the distribution of the elastocaloric effect over the wire during loading in the case of two wires trained at different temperatures and the virgin wire, respectively. In the end, we propose guidelines about the required material properties for an efficient elastocaloric cooling device.

Surface oxidation energetics and kinetics on MoS2 monolayer

Abstract: In this work, surface oxidation of monolayer MoS2 (one of the representative semiconductors in transition-metal dichalcogenides) has been investigated using density functional theory method. Oxygen interaction with MoS2 shows that, thermodynamically, the surface tends to be oxidized. However, the dissociative absorption of molecular oxygen on the MoS2 surface is kinetically limited due to the large energy barrier at low temperature. This finding elucidates the air stability of MoS2 surface in the atmosphere. Furthermore, the presence of defects significantly alters the surface stability and adsorption mechanisms. The electronic properties of the oxidized surface have been examined as a function of oxygen adsorption and coverage as well as substitutional impurities. Our results on energetics and kinetics of oxygen interaction with the MoS2 monolayer are useful for the understanding of surface oxidation, air stability, and electronic properties of transition-metal dichalcogenides at the atomic scale.

Experimental and theoretical characterization of ordered MAX phases Mo2TiAlC2 and Mo2Ti2AlC3

Abstract: Herein, we report on the phase stabilities and crystal structures of two newly discovered ordered, quaternary MAX phases—Mo2TiAlC2 and Mo2Ti2AlC3—synthesized by mixing and heating different elemental powder mixtures of mMo:(3-m)Ti:1.1Al:2C with 1.5 ≤ m ≤ 2.2 and 2Mo: 2Ti:1.1Al:2.7C to 1600 °C for 4 h under Ar flow. In general, for m ≥ 2 an ordered 312 phase, (Mo2Ti)AlC2, was the majority phase; for m < 2, an ordered 413 phase (Mo2Ti2)AlC3, was the major product. The actual chemistries determined from X-ray photoelectron spectroscopy (XPS) are Mo2TiAlC1.7 and Mo2Ti1.9Al0.9C2.5, respectively. High resolution scanning transmission microscopy, XPS and Rietveld analysis of powder X-ray diffraction confirmed the general ordered stacking sequence to be Mo-Ti-Mo-Al-Mo-Ti-Mo for Mo2TiAlC2 and Mo-Ti-Ti-Mo-Al-Mo-Ti-Ti-Mo for Mo2Ti2AlC3, with the carbon atoms occupying the octahedral sites between the transition metal layers. Consistent with the experimental results, the theoretical calculations clearly show that M l...

Multispectral terahertz sensing with highly flexible ultrathin metamaterial absorber

Abstract: We report the simulation, fabrication, and experimental characterization of a multichannel metamaterial absorber with the aim to be used as a label-free sensing platform in the terahertz regime. The topology of the investigated resonators deposited on a thin flexible polymer by means of optical lithography is capable of supporting multiple resonances over a broad frequency range due to the individual contribution of each sub-element of the unit cell. In order to explore the performance of the chosen structure in terms of sensing phenomenon, the reflection feature is monitored upon variation of the refractive index and the thickness of the analyte. We achieve numerically maximum frequency sensitivity of about 139.2 GHz/refractive index unit. Measurements carried out using terahertz time-domain spectroscopy show good agreement with the numerical predictions. The results are very promising, suggesting a potential use of the metamaterial absorber in wide variety of multispectral terahertz sensing applications.

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

Abstract: There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicene shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.

Epitaxial growth of phase-pure ε-Ga2O3 by halide vapor phase epitaxy

Abstract: Epitaxial growth of e-Ga2O3 is demonstrated for the first time. The e-Ga2O3 films are grown on GaN (0001), AlN (0001), and β-Ga2O3 ( 2¯01) by halide vapor phase epitaxy at 550 °C using gallium chloride and O2 as precursors. X-ray ω-2θ and pole figure measurements prove that phase-pure e-Ga2O3 (0001) films are epitaxially grown on the three kinds of substrates, although some minor misoriented domains are observed. High temperature X-ray diffraction measurements reveal that the e-Ga2O3 is thermally stable up to approximately 700 °C. The optical bandgap of e-Ga2O3 is determined for the first time to be 4.9 eV.

Determination of the blocking temperature of magnetic nanoparticles: The good, the bad, and the ugly

Abstract: A numerically solved two-level Stoner-Wohlfarth model with thermal agitation is used to simulate Zero Field Cooling (ZFC)–Field Cooling (FC) curves of monosize and polysize samples and to determine the best method for obtaining a representative blocking temperature TB value of polysize samples. The results confirm a technique based on the T derivative of the difference between ZFC and FC curves proposed by Micha et al. (the good) and demonstrate its relation with two alternative methods: the ZFC maximum (the bad) and the inflection point (the ugly). The derivative method is then applied to experimental data, obtaining the TB distribution of a polysize Fe3O4 nanoparticle sample suspended in hexane with an excellent agreement with TEM characterization.

Percolation threshold and electrical conductivity of graphene-based nanocomposites with filler agglomeration and interfacial tunneling

Abstract: The dispersion state or degree of agglomeration of graphene is known to have a significant influence on the percolation threshold and electrical conductivity of graphene-based polymer nanocomposites. In addition, an imperfectly conducting interface and tunneling-assisted interfacial conductivity can also affect the overall conductivity. In this paper, a continuum theory is developed that considers all these factors. We first present a two-scale composite model consisting of graphene-rich regions serving as the agglomerates and a graphene-poor region as the matrix. We then introduce the effective-medium theory to determine the percolation threshold and electrical conductivity of the agglomerate and the composite. To account for the effect of imperfect interfaces, a thin layer of interphase with low conductivity is introduced to build a thinly coated graphene, while to account for the contribution of electron hopping from one graphene to another, Cauchy's statistical function which can reflect the increased...

A reconfigurable liquid metal antenna driven by electrochemically controlled capillarity

Abstract: We describe a new electrochemical method for reversible, pump-free control of liquid eutectic gallium and indium (EGaIn) in a capillary. Electrochemical deposition (or removal) of a surface oxide on the EGaIn significantly lowers (or increases) its interfacial tension as a means to induce the liquid metal in (or out) of the capillary. A fabricated prototype demonstrates this method in a reconfigurable antenna application in which EGaIn forms the radiating element. By inducing a change in the physical length of the EGaIn, the operating frequency of the antenna tunes over a large bandwidth. This purely electrochemical mechanism uses low, DC voltages to tune the antenna continuously and reversibly between 0.66 GHz and 3.4 GHz resulting in a 5:1 tuning range. Gain and radiation pattern measurements agree with electromagnetic simulations of the device, and its measured radiation efficiency varies from 41% to 70% over its tuning range.

Helium atmospheric pressure plasma jets touching dielectric and metal surfaces

Abstract: Atmospheric pressure plasma jets (APPJs) are being investigated in the context plasma medicine and biotechnology applications, and surface functionalization. The composition of the surface being treated ranges from plastics, liquids, and biological tissue, to metals. The dielectric constant of these materials ranges from as low as 1.5 for plastics to near 80 for liquids, and essentially infinite for metals. The electrical properties of the surface are not independent variables as the permittivity of the material being treated has an effect on the dynamics of the incident APPJ. In this paper, results are discussed from a computational investigation of the interaction of an APPJ incident onto materials of varying permittivity, and their impact on the discharge dynamics of the plasma jet. The computer model used in this investigation solves Poisson's equation, transport equations for charged and neutral species, the electron energy equation, and the Navier-Stokes equations for the neutral gas flow. The APPJ ...

TaN interface properties and electric field cycling effects on ferroelectric Si-doped HfO2 thin films

Abstract: Ferroelectric HfO2-based thin films, which can exhibit ferroelectric properties down to sub-10 nm thicknesses, are a promising candidate for emerging high density memory technologies. As the ferroelectric thickness continues to shrink, the electrode-ferroelectric interface properties play an increasingly important role. We investigate the TaN interface properties on 10 nm thick Si-doped HfO2 thin films fabricated in a TaN metal-ferroelectric-metal stack which exhibit highly asymmetric ferroelectric characteristics. To understand the asymmetric behavior of the ferroelectric characteristics of the Si-doped HfO2 thin films, the chemical interface properties of sputtered TaN bottom and top electrodes are probed with x-ray photoelectron spectroscopy. Ta-O bonds at the bottom electrode interface and a significant presence of Hf-N bonds at both electrode interfaces are identified. It is shown that the chemical heterogeneity of the bottom and top electrode interfaces gives rise to an internal electric field, whic...

Achieving wide-band linear-to-circular polarization conversion using ultra-thin bi-layered metasurfaces

Abstract: In this paper, we propose to achieve wideband linear-to-circular (LTC) polarization conversion by ultra-thin bi-layered metasurfaces. As an example, an LTC polarization conversion metasurface operating in 11.4–14.3 GHz is designed and fabricated, which is composed of two layers of metallic pattern arrays separated by a 1.5 mm-thick dielectric spacer. When linearly polarized waves impinge on the bi-layered metasurface, LTC polarization conversion transmission is greater than 90% over a wide frequency range from 11.0 GHz to 18.3 GHz. Meanwhile, the axis ratio is lower than 3 dB in 9.8–18.3 GHz. This wide-band and highly efficient LTC polarization conversion transmission is analyzed theoretically. The measured LTC polarization conversion transmissions are well consistent with the simulated results.

Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal

Abstract: A numerical model is developed to study the shock wave ignition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) crystal. The model accounts for the coupling between crystal thermal/mechanical responses and chemical reactions that are driven by the temperature field. This allows for the direct numerical simulation of decomposition reactions in the hot spots formed by mechanical loading. The model is used to simulate intragranular pore collapse under shock wave loading. In a reference case: (i) shear-enabled micro-jetting is responsible for a modest extent of reaction in the pore collapse region, and (ii) shear banding is found to be an important mode of localization. The shear bands, which are filled with molten HMX, grow out of the pore collapse region and serve as potential ignition sites. The model predictions of shear banding and reactivity are found to be quite sensitive to the respective flow strengths of the solid and liquid phases. In this regard, it is shown that reasonable assumptions of liquid-HMX viscosity can lead to chemical reactions within the shear bands on a nanosecond time scale.

Novel phase of carbon, ferromagnetism, and conversion into diamond

Abstract: We report the discovery of a new phase of carbon (referred to as Q-carbon) and address fundamental issues related to direct conversion of carbon into diamond at ambient temperatures and pressures in air without any need for catalyst and presence of hydrogen. The Q-carbon is formed as result of quenching from super undercooled state by using high-power nanosecond laser pulses. We discuss the equilibrium phase diagram (P vs. T) of carbon and show that by rapid quenching kinetics can shift thermodynamic graphite/diamond/liquid carbon triple point from 5000 K/12 GPa to super undercooled carbon at atmospheric pressure in air. It is shown that nanosecond laser heating of diamond-like amorphous carbon on sapphire, glass, and polymer substrates can be confined to melt carbon in a super undercooled state. By quenching the carbon from the super undercooled state, we have created a new state of carbon (Q-carbon) from which nanodiamond, microdiamond, microneedles, and single-crystal thin films are formed depending upon the nucleation and growth times allowed for diamond formation. The Q-carbon quenched from liquid is a new state of solid carbon with a higher mass density than amorphous carbon and a mixture of mostly fourfold sp3 (75%–85%) with the rest being threefold sp2 bonded carbon (with distinct entropy). It is expected to have new and improved mechanical hardness, electrical conductivity, chemical, and physical properties, including room-temperature ferromagnetism (RTFM) and enhanced field emission. Here we present interesting results on RTFM, enhanced electrical conductivity and surface potential of Q-carbon to emphasize its unique properties. The Q-carbon exhibits robust bulk ferromagnetism with estimated Curie temperature of about 500 K and saturation magnetization value of 20 emu g−1. From the Q-carbon, diamond phase is nucleated and a variety of micro- and nanostructures and large-area single-crystal diamond sheets are grown by allowing growth times as needed. Subsequent laser pulses can be used to grow nanodiamond into microdiamond and nucleate other nanostructures of diamond on the top of existing microdiamond and create novel nanostructured materials. The microstructural details provide insights into the mechanism of formation of nanodiamond, microdiamond, nanoneedles, microneedles, and single-crystal thin films. This process allows carbon-to-diamond conversion and formation of useful nanostructures and microstructures at ambient temperatures in air at atmospheric pressure on practical and heat-sensitive substrates in a controlled way without need for any catalysts and hydrogen to stabilize sp3 bonding for diamond formation.We report the discovery of a new phase of carbon (referred to as Q-carbon) and address fundamental issues related to direct conversion of carbon into diamond at ambient temperatures and pressures in air without any need for catalyst and presence of hydrogen. The Q-carbon is formed as result of quenching from super undercooled state by using high-power nanosecond laser pulses. We discuss the equilibrium phase diagram (P vs. T) of carbon and show that by rapid quenching kinetics can shift thermodynamic graphite/diamond/liquid carbon triple point from 5000 K/12 GPa to super undercooled carbon at atmospheric pressure in air. It is shown that nanosecond laser heating of diamond-like amorphous carbon on sapphire, glass, and polymer substrates can be confined to melt carbon in a super undercooled state. By quenching the carbon from the super undercooled state, we have created a new state of carbon (Q-carbon) from which nanodiamond, microdiamond, microneedles, and single-crystal thin films are formed depending up...

Quasiparticle band structures and thermoelectric transport properties of p-type SnSe

Abstract: We used density functional and many-body perturbation theory to calculate the quasiparticle band structures and electronic transport parameters of p-type SnSe both for the low-temperature Pnma and high-temperature Cmcm phases. The Pnma phase has an indirect band gap of 0.829 eV, while the Cmcm has a direct band gap of 0.464 eV. Both phases exhibit multiple local band extrema within an energy range comparable to the thermal energy of carriers from the global extrema. We calculated the electronic transport coefficients as a function of doping concentration and temperature for single-crystal and polycrystalline materials to understand the previous experimental measurements. The electronic transport coefficients are highly anisotropic and are strongly affected by bipolar transport effects at high temperature. Our results indicate that SnSe exhibits optimal thermoelectric performance at high temperature when doped in the 1019–1020 cm−3 range.

Electrical and photovoltaic characteristics of MoS2/Si p-n junctions

Abstract: Bulk-like molybdenum disulfide (MoS2) thin films were deposited on the surface of p-type Si substrates using dc magnetron sputtering technique and MoS2/Si p-n junctions were formed. The vibrating modes of E12g and A1g were observed from the Raman spectrum of the MoS2 films. The current density versus voltage (J-V) characteristics of the junction were investigated. A typical J-V rectifying effect with a turn-on voltage of 0.2 V was shown. In different voltage range, the electrical transporting of the junction was dominated by diffusion current and recombination current, respectively. Under the light illumination of 15 mW cm−2, the p-n junction exhibited obvious photovoltaic characteristics with a short-circuit current density of 3.2 mA cm−2 and open-circuit voltage of 0.14 V. The fill factor and energy conversion efficiency were 42.4% and 1.3%, respectively. According to the determination of the Fermi-energy level (∼4.65 eV) and energy-band gap (∼1.45 eV) of the MoS2 films by capacitance-voltage curve and ...

Hybrid photovoltaic-thermoelectric system for concentrated solar energy conversion: Experimental realization and modeling

Abstract: An experimental demonstration of the combined photovoltaic (PV) and thermoelectric conversion of concentrated sunlight (with concentration factor, X, up to ∼300) into electricity is presented. The hybrid system is based on a multi-junction PV cell and a thermoelectric generator (TEG). The latter increases the electric power of the system and dissipates some of the excessive heat. For X ≤ 200, the system's maximal efficiency, ∼32%, was mostly due to the contribution from the PV cell. With increasing X and system temperature, the PV cell's efficiency decreased while that of the TEG increased. Accordingly, the direct electrical contribution of the TEG started to dominate in the total system power, reaching ∼20% at X ≈ 290. Using a simple steady state finite element modeling, the cooling effect of the TEG on the hybrid system's efficiency was proved to be even more significant than its direct electrical contribution for high solar concentrations. As a result, the total efficiency contribution of the TEG reach...

Bulk elastic waves with unidirectional backscattering-immune topological states in a time-dependent superlattice

Abstract: Recent progress in electronic and electromagnetic topological insulators has led to the demonstration of one way propagation of electron and photon edge states and the possibility of immunity to backscattering by edge defects. Unfortunately, such topologically protected propagation of waves in the bulk of a material has not been observed. We show, in the case of sound/elastic waves, that bulk waves with unidirectional backscattering-immune topological states can be observed in a time-dependent elastic superlattice. The superlattice is realized via spatial and temporal modulation of the stiffness of an elastic material. Bulk elastic waves in this superlattice are supported by a manifold in momentum space with the topology of a single twist Mobius strip. Our results demonstrate the possibility of attaining one way transport and immunity to scattering of bulk elastic waves.

Poole-Frenkel-effect as dominating current mechanism in thin oxide films—An illusion?!

Abstract: In many of the publications, over 50 per year for the last five years, the Poole-Frenkel-effect (PFE) is identified or suggested as dominating current mechanism to explain measured current–electric field dependencies in metal-insulator-metal (MIM) thin film stacks Very often, the insulating thin film is a metal oxide as this class of materials has many important applications, especially in information technology In the overwhelming majority of the papers, the identification of the PFE as dominating current mechanism is made by the slope of the current–electric field curve in the so-called Poole-Frenkel plot, ie, logarithm of current density, j, divided by the applied electric field, F, versus the square root of that field This plot is suggested by the simplest current equation for the PFE, which comprises this proportionality (ln(j/F) vs F1/2) leading to a straight line in this plot Only one other parameter (except natural constants) may influence this slope: the optical dielectric constant of the

Electronic and thermoelectric properties of van der Waals materials with ring-shaped valence bands

Abstract: The valence band of a variety of few-layer, two-dimensional materials consist of a ring of states in the Brillouin zone. The energy-momentum relation has the form of a “Mexican hat” or a Rashba dispersion. The two-dimensional density of states is singular at or near the band edge, and the band-edge density of modes turns on nearly abruptly as a step function. The large band-edge density of modes enhances the Seebeck coefficient, the power factor, and the thermoelectric figure of merit ZT. Electronic and thermoelectric properties are determined from ab initio calculations for few-layer III–VI materials GaS, GaSe, InS, InSe, for Bi2Se3, for monolayer Bi, and for bilayer graphene as a function of vertical field. The effect of interlayer coupling on these properties in few-layer III–VI materials and Bi2Se3 is described. Analytical models provide insight into the layer dependent trends that are relatively consistent for all of these few-layer materials. Vertically biased bilayer graphene could serve as an experimental test-bed for measuring these effects.

Thermal transport across graphene and single layer hexagonal boron nitride

Abstract: As the dimensions of nanocircuits and nanoelectronics shrink, thermal energies are being generated in more confined spaces, making it extremely important and urgent to explore for efficient heat dissipation pathways. In this work, the phonon energy transport across graphene and hexagonal boron-nitride (h-BN) interface is studied using classic molecular dynamics simulations. Effects of temperature, interatomic bond strength, heat flux direction, and functionalization on interfacial thermal transport are investigated. It is found out that by hydrogenating graphene in the hybrid structure, the interfacial thermal resistance (R) between graphene and h-BN can be reduced by 76.3%, indicating an effective approach to manipulate the interfacial thermal transport. Improved in-plane/out-of-plane phonon couplings and broadened phonon channels are observed in the hydrogenated graphene system by analyzing its phonon power spectra. The reported R results monotonically decrease with temperature and interatomic bond strengths. No thermal rectification phenomenon is observed in this interfacial thermal transport. Results reported in this work give the fundamental knowledge on graphene and h-BN thermal transport and provide rational guidelines for next generation thermal interface material designs.

Temperature dependent dielectric and conductivity studies of polyvinyl alcohol-ZnO nanocomposite films by impedance spectroscopy

Abstract: Dielectric and conductivity behaviors of nano ZnO doped polyvinyl alcohol (PVA) composites for various concentrations of dopant were investigated using impedance spectroscopy for a wide range of temperatures (303 K–423 K) and frequencies (5 Hz–30 MHZ). The dielectric properties of host polymer matrix have been improved by the addition of nano ZnO and are found to be highly temperature dependent. Anomalous dielectric behavior was observed in the frequency range of 2.5 MHz–5 MHz. Increase in dielectric permittivity and dielectric loss was observed with respect to temperature. The Cole-Cole plot could be modeled by low resistance regions in a high resistance matrix and the lowest resistance was observed for the 10 mol. % films. The imaginary part of the electric modulus showed asymmetric peaks with the relaxation following Debye nature below and non-Debye nature above the peaks. The ac conductivity is found to obey Jonscher's power law, whereas the variation of dc conductivity with temperature was found to f...

Oxygen octahedra distortion induced structural and magnetic phase transitions in Bi1−xCaxFe1−xMnxO3 ceramics

Abstract: 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.

Intrinsic surface passivation of CdTe

Abstract: Recombination is critically limiting in CdTe devices such as solar cells and detectors, with much of it occurring at or near the surface. In this work, we explore different routes to passivate p-type CdTe surfaces without any intentional extrinsic passivation layers. To provide deeper insight into the passivation routes, we uniquely correlate a set of characterization methods: surface analysis and time-resolved spectroscopy. We study two model systems: nominally undoped single crystals and large-grain polycrystalline films. We examine several strategies to reduce surface recombination velocity. First, we study the effects of removing surface contaminants while maintaining a near-stoichiometric surface. Then we examine stoichiometric thermally reconstructed surfaces. We also investigate the effects of shifting the surface stoichiometry by both “subtractive” (wet chemical etches) and “additive” (ampoule anneals and epitaxial growth) means. We consistently find for a variety of methods that a highly ordered ...

Comparative analyses of plasma probe diagnostics techniques

Abstract: The subject of this paper is a comparative analysis of the plasma parameters inferred from the classical Langmuir probe procedure, from different theories of the ion current to the probe, and from measured electron energy distribution function(EEDF) obtained by double differentiation of the probe characteristic. We concluded that the plasma parameters inferred from the classical Langmuir procedure can be subjected to significant inaccuracy due to the non-Maxwellian EEDF, uncertainty of locating the plasma potential, and the arbitrariness of the ion current approximation. The plasma densities derived from the ion part of the probe characteristics diverge by as much as an order of magnitude from the density calculated according to Langmuir procedure or calculated as corresponding integral of the measured EEDF. The electron temperature extracted from the ion part is always subjected to uncertainty. Such inaccuracy is attributed to modification of the EEDF for fast electrons due to inelastic electron collisions, and to deficiencies in the existing ion current theories; i.e., unrealistic assumptions about MaxwellianEEDFs, underestimation of the ion collisions and the ion ambipolar drift, and discounting deformation of the one-dimensional structure of the region perturbed by the probe. We concluded that EEDF measurement is the single reliable probe diagnostics for the basic research and industrial applications of highly non-equilibrium gas dischargeplasmas. Examples of EEDF measurements point up importance of examining the probe current derivatives in real time and reiterate significance of the equipment technical characteristics, such as high energy resolution and wide dynamic range.

The use of slow waves to design simple sound absorbing materials

Abstract: We demonstrate that the phenomenon of slow sound propagation associated with its inherent dissipation (dispersion + attenuation) can be efficiently used to design sound absorbing metamaterials The dispersion relation of the wave propagating in narrow waveguides on one side of which quarter-wavelength resonators are plugged with a square lattice, whose periodicity is smaller than the wavelength, is analyzed The thermal and viscous losses are accounted for in the modeling We show that this structure slows down the sound below the bandgap associated with the resonance of quarter-wavelength resonators and dissipates energy After deriving the effective parameters of both such a narrow waveguide and a periodic arrangement of them, we show that the combination of slow sound together with the dissipation can be efficiently used to design a sound absorbing metamaterial which totally absorbs sound for wavelength much larger than four times the thickness structure This last claim is supported by experimental results