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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Boron doped simulated graphene field effect transistor model

Graphene based electronic devices due to its unique properties has transformed electronics. A Graphene Field Effect Transistor (GNRFET) model is simulated in Virtual Nano Lab (VNL) and the calculations are based on density functional theory (DFT). Simulations were performed on this pristine GNRFET model and the transmission spectrum was observed. The graph obtained showed a uniform energy gap of +1 to −1eV and the highest transmission peak at −1.75 eV. To this pristine model of GNRFET, doping was introduced and its effect was seen on the Fermi level obtained in the transmission spectrum. Boron as a dopant was used which showed variations in both the transmission peaks and the energy gap. In this model, first the single boron was substituted in place of carbon and Fermi level showed an energy gap of 1.5 to −0.5eV with the highest transmission peak at −1.3 eV. In another variation in the model, two carbon atoms were replaced by two boron atoms and Fermi level shifted from 2 to 0.25eV. In this observation, the highest transmission peak was observed at −1(approx.). The use of nanoelectronic devices have opened many areas of applications as GFET is an excellent building block for electronic circuits, and is being used in applications such as high-performance frequency doublers and mixers, digital modulators, phase detectors, optoelectronics and spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of sintering temperature on the optical properties of BiFeO{sub 3} nanoparticles

BiFeO{sub 3} is a multiferroic material which exhibits excellent optical properties. BiFeO{sub 3} nanoparticles are synthesized by using sol-gel method. The prepared samples are sintered at 500°C, 600°C, 700°C, 800°C and 850°C. In this paper, the effect of sintering temperature on the optical properties in BiFeO{sub 3} nanoparticles is studied. Field emission electron microscopy (FESEM) images show that particles are nearly spherical in shape. It is found that the particles size increases from 37 nm to 51 nm with increasing the sintering temperature. FESEM images also reveal a homogenous size distribution of nanoparticles. All the functional groups are indexed in the Fourier transform infrared spectroscopy (FTIR) spectra. It is found that Fe-O stretching peaks are appeared in the wave number range 447 and 507 cm{sup −1}. The value of energy band gap are found 2.14, 2.26, 2.30, 2.36, and 2.54 eV for the samples sintered at 500°C, 600°C, 700°C, 800°C and 850°C respectively. Thus, the increase in band gap with increasing temperature has been observed. The present samples can be used as photo-catalyst, in non-volatile memories and to make spintronics devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Fabrication and characterization of pristine and annealed Ga doped ZnO thin films using sputtering

ZnO is a wide-band gap, transparent, polar semiconductor with unparalleled optoelectronic, piezoelectric, thermal and transport properties, which make it the material of choice for a wide range of applications such as blue/UV optoelectronics, energy conversion, transparent electronics, spintronic, plasmonic and sensor devices. We report, three sets of Ga doped Zinc Oxide (GZO) were fabricated in different sputtering power (100 watt, 200 watt and 300 watt). Thereafter films were annealed in nitrogen ambient for 30 minutes at 400° C. From the optical absorption spectroscopy it was found that pristine films are showing a 75% transmittance in the visible region of light and it increases after the annealing. However, for 300 W grown sample opposite trend has been achieved for the post annealed sample. X-ray diffraction pattern of all the pristine and annealed films showed a preferable growth orientation at (002) phase. Some other weak peaks were also appeared in different angle which indicates that films are polycrystalline in nature. XRD data also reveals that crystallite size increases with sputtering power up to 200 W and thereafter it decreases with the deposition power. It also noted that the crystallite size of the annealed film increases with compare to the non annealed films. At room temperature an enhancement in electrical properties of Ga doped ZnO thin films was noted for the annealed ZnO films except for the film deposited at 300 watt. More significantly, it was found that annealed thin films showed the resistivity in the range of 10{sup −3} ∼ 10{sup −4} ohm-cm. Such a high optical transmittance and conducting zinc-oxide thin film can be used as a window layer in solar cell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Remarkable photocurrent in heterojunctions of n-La{sub 0.9}Hf{sub 0.1}MnO{sub 3}/i-SrTiO{sub 3}/p-Si at room temperature

Controllable manipulation for electrical transport in manganite-based heterojunctions have been desired and studied all the time due to their promising applications in electronic and spintronic devices. We report heterojunctions composed by n-type La{sub 0.9}Hf{sub 0.1}MnO{sub 3} and p-type Si with a SrTiO{sub 3} interlayer. The junctions reveal the formation of n-i-p junction in a wide temperature range of 20–300 K. Under illumination of 630 nm light, remarkable photocurrent has been observed. The photosensitivity (I{sub S}), defined as the ratio of photocurrent to dark current, reaches over 1200% under −3 V bias and illumination of red light with 10 mW cm{sup −2} at room temperature. Even light power density is as low as 0.2 mW cm{sup −2}, I{sub S} is still over 200% under −1.5 V bias. The injection of photo-carriers could be responsible for the observed phenomenon. Such manipulative features by light illumination and bias should be of great potential for functional light sensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural, electronic and magnetic properties of Au-based monolayer derivatives in honeycomb structure

We present electronic properties of atomic layer of Au, Au{sub 2}-N, Au{sub 2}-O and Au{sub 2}-F in graphene-like structure within the framework of density functional theory (DFT). The lattice constant of derived monolayers are found to be higher than the pristine Au monolayer. Au monolayer is metallic in nature with quantum ballistic conductance calculated as 4G{sub 0}. Similarly, Au{sub 2}-N and Au{sub 2}-F monolayers show 4G{sub 0} and 2G{sub 0} quantum conductance respectively while semiconducting nature with calculated band gap of 0.28 eV has been observed for Au{sub 2}-O monolayer. Most interestingly, half metalicity has been predicted for Au{sub 2}-N and Au{sub 2}-F monolayers. Our findings may have importance for the application of these monolayers in nanoelectronic and spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Studies on magnetic properties of chemically synthesized crystalline calcium ferrite nanoparticles

Spinel-type ferrites have taken a very important role for modern electronic industry. Most of these ferrites exhibit low-loss dielectric properties, high resistivity, low eddy current and also high temperature ferromagnetism. Calcium ferrite is one such important metal oxide which is environmentally safe, chemically stable, low cost and greatly abundant. This outstanding material of calcium ferrite is synthesized by a simple chemical precipitation method using NaOH as the precipitating agent. Ferric chloride anhydrous (FeCl{sub 3}) and Calcium chloride dihydrate (CaCl{sub 2}.2H{sub 2}O) were used as iron and calcium sources respectively. The samples were heated at 200°C for 8h to obtain homogeneous powder of Calcium ferrite. The powders were characterized by using X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Transmission electrical microscopy (TEM), and Fourier transform infrared spectroscopic (FTIR) measurements. The polycrystalline nature of the sample was confirmed by X-ray diffraction study. The magnetic properties of the sample were investigated by vibrating sample magnetometer (VSM) measurements. Magnetization curve of the prepared sample depicts that as synthesized calcium ferrite nanoparticles have saturation magnetic moment of 1.74 emu/g and the coercivity of 35.08 Oe with superparamagnetic behavior. The synthesized calcium ferrite nanoparticles with such magnetic properties will be a candidate material for different applications in electronics and exploring its functionality in the field of recently developing semiconductor device physics and spintronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Growth of high quality single crystals of Bi{sub 2}Se{sub 3} topological insulator via solid state reaction method

Recently discovered, Topological Insulators (TIs) have garnered enormous amount of attention owing to its unique surface properties which has potential applications in the field of spintronics and other modern technologies. For all this, it should require a very good quality samples. There are a number of techniques suggested by people for the growth of good quality TIs. Here, we are reporting the growth of high quality single crystals of Bi{sub 2}Se{sub 3} (a TI) by slow cooling solid-state reaction method. X-ray diffraction measurements performed on a cleaved flake of single crystal Bi{sub 2}Se{sub 3} showed up with proper orientations of the crystal planes. High energy X-ray diffraction has been performed to confirm the stoichiometry of the compound and also recorded Laue patterns prove the single crystalline nature of Bi{sub 2}Se{sub 3}. Moreover, angle resolved photo-emission spectroscopy (ARPES) carried out on a flat crystal flake shows distinct Dirac dispersion of surface bands at the gamma point clarifying it as a 3D topological insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A first principles study of half-metallic ferromagnetism in In{sub 1-x}Ti{sub x}P (x = 0.06) diluted magnetic semiconductor

A first principles approach has been used to calculate the electronic and magnetic properties of In{sub 1-x}Ti{sub x}P (x = 0.06) diluted magnetic semiconductor (DMS) compound. The calculations have been carried out using the highly precise all electron full potential Linear Augmented Plane Wave (FPLAPW) method within generalized gradient approximation (GGA) as exchange-correlation (XC) potentials. The estimated results show that the Ti-doping generate robust half metallic ferromagnetism with the 100% spin polarization at Fermi level (E{sub F}) in InP. Due to this peculiar property, the resultant compound behaves as true half-metallic ferromagnet which is best suited for spintronic applications. The total magnetic moments of this compound are mainly due to Ti-d states present at E{sub F} with almost negligible contribution from other atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Topological insulator behavior of WS{sub 2} monolayer with square-octagon ring structure

We report electronic behavior of an allotrope of monolayer WS{sub 2} with a square octagon ring structure, refereed to as (so-WS{sub 2}) within state-of-the-art density functional theory (DFT) calculations. The WS{sub 2} monolayer shows semi-metallic characteristics with Dirac-cone like features around Γ. Unlike p-orbital’s Dirac-cone in graphene, the Dirac-cone in the so-WS{sub 2} monolayer originates from the d-electrons of the W atom in the lattice. Most interestingly, the spin-orbit interaction associated with d-electrons induce a finite band-gap that results into the metal-semiconductor transition and topological insulator-like behavior in the so-WS{sub 2} monolayer. These characteristics suggest the so-WS{sub 2} monolayer to be a promising candidate for the next-generation electronic and spintronics devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Exotic d{sup 0} magnetism in partial hydrogenated silicene

The intriguing d{sup 0} magnetic properties of partially hydrogenated silicene are investigated via first-principles calculations. H atoms are assembled along the diagonal line of 4 × 4 supercell. The magnetism can be engineered through transforming the adsorption sites of H atoms. With odd number of H atoms, the systems demonstrate stable magnetism, and the total magnetic moment of each system is 1 μ{sub B}. No magnetism is found in those systems with equal number of H atoms for sublattice A and sublattice B. Molecular dynamics simulations show the configurations and magnetism of the systems are stable at room temperature. Our work motivates promising applications for silicene in spintronics device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The nature of the Fe-graphene interface at the nanometer level

The emerging fields of graphene-based magnetic and spintronic devices require a deep understanding of the interface between graphene and ferromagnetic metals. This work reports a detailed investigation at the nanometer level of the Fe–graphene interface carried out by angle-resolved photoemission, high-resolution photoemission from core levels, and scanning tunnelling microscopy. Quasi-freestanding graphene was grown on Pt(111), and the iron film was either deposited atop or intercalated beneath graphene. Calculations and experimental results show that iron strongly modifies the graphene band structure and lifts its π band spin degeneracy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Long-lived nanosecond spin coherence in high-mobility 2DEGs confined in double and triple quantum wells

We investigated the spin coherence of high-mobility two-dimensional electron gases confined in multilayer GaAs quantum wells. The dynamics of the spin polarization was optically studied using pump-probe techniques: time-resolved Kerr rotation and resonant spin amplification. For double and triple quantum wells doped beyond the metal-to-insulator transition, the spin-orbit interaction was tailored by the sample parameters of structural symmetry (Rashba constant), width, and electron density (Dresselhaus linear and cubic constants) which allow us to attain long dephasing times in the nanoseconds range. The determination of the scales, namely, transport scattering time, single-electron scattering time, electron-electron scattering time, and spin polarization decay time further supports the possibility of using n-doped multilayer systems for developing spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Transmission of spin waves in ordered FeRh epitaxial thin films

We report on B2-ordering dependence of magnetostatic surface spin waves in ferromagnetic FeRh at room temperature. Spin waves transmit over a distance longer than 21 μm in highly ordered FeRh alloys even with relatively large spin-orbit interaction. The long-range transmission likely arises from the induced Rh moments of the ordered FeRh due to ferromagnetic exchange interaction between Fe and Rh. The results indicate a potential of using FeRh in spintronic and magnonic applications by integrating with other fascinating magnetic characteristics of FeRh such as electric field induced magnetic phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Realizing stable fully spin polarized transport in SiC nanoribbons with dopant

Intrinsic half-metallicity recently reported in zigzag edged SiC nanoribbons is basically undetectable due to negligible energy difference between the antiferromagnetic (AFM) and ferromagnetic (FM) configurations. In this Letter, by density functional theory calculations, we demonstrate a scheme of N doping at the carbon edge to selectively close the edge state channel at this edge and achieve 100% spin filtering, no matter whether it is in an AFM state or FM state. This turns SiC nanoribbon into a promising material for obtaining stable and completely spin polarized transport and may find application in spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The structure and electronic properties of hexagonal Fe{sub 2}Si

On the basis of first principle calculations, we show that a hexagonal structure of Fe{sub 2}Si is a ferromagnetic crystal. The result of the phonon spectra indicates that it is a stable structure. Such material exhibits a spin-polarized and half-metal-like band structure. From the calculations of generalized gradient approximation, metallic and semiconducting behaviors are observed with a direct and nearly 0 eV band gap in various spin channels. The densities of states in the vicinity of the Fermi level is mainly contributed from the d-electrons of Fe. We calculate the reflection spectrum of Fe{sub 2}Si, which has minima at 275 nm and 3300 nm with reflectance of 0.27 and 0.49, respectively. Such results may provide a reference for the search of hexagonal Fe{sub 2}Si in experiments. With this band characteristic, the material may be applied in the field of novel spintronics devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Room temperature luminescence and ferromagnetism of AlN:Fe

AlN:Fe polycrystalline powders were synthesized by a modified solid state reaction (MSSR) method. Powder X-ray diffraction and transmission electron microscopy results reveal the single phase nature of the doped samples. In the doped AlN samples, Fe is in Fe{sup 2+} state. Room temperature ferromagnetic behavior is observed in AlN:Fe samples. Two photoluminescence peaks located at about 592 nm (2.09 eV) and 598 nm (2.07 eV) are observed in AlN:Fe samples. Our results suggest that AlN:Fe is a potential material for applications in spintronics and high power laser devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A versatile rotary-stage high frequency probe station for studying magnetic films and devices

We present a rotary-stage microwave probe station suitable for magnetic films and spintronic devices. Two stages, one for field rotation from parallel to perpendicular to the sample plane (out-of-plane) and the other intended for field rotation within the sample plane (in-plane) have been designed. The sample probes and micro-positioners are rotated simultaneously with the stages, which allows the field orientation to cover θ from 0{sup ∘} to 90{sup ∘} and φ from 0{sup ∘} to 360{sup ∘}. θ and φ being the angle between the direction of current flow and field in a out-of-plane and an in-plane rotation, respectively. The operation frequency is up to 40 GHz and the magnetic field up to 1 T. The sample holder vision system and probe assembly are compactly designed for the probes to land on a wafer with diameter up to 3 cm. Using homemade multi-pin probes and commercially available high frequency probes, several applications including 4-probe DC measurements, the determination of domain wall velocity, and spin transfer torque ferromagnetic resonance are demonstrated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene

We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗