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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Imidazole-graphyne: a new 2D carbon nitride with a direct bandgap and strong IR refraction

Six-membered rings are common building blocks of many carbon structures. Recent studies have shown that penta-graphene composed of five-membered carbon rings have properties very different from that of graphene. This has motivated the search for new carbon structures. Among this is cp-graphyne, composed of carbon pentagons and bridged by acetylenic linkers. However, the bandgap of cp-graphyne, like that of graphene, is zero, making it unsuitable for applications in electronics. Herein, we show that a new two-dimensional (2D) carbon nitride structure formed by assembling the five-membered imidazole molecules with acetylenic linker can overcome this limitation. Named ID-GY, this new material not only has a direct band gap of 1.10 eV, but it is dynamically and mechanically stable and can withstand temperatures up to 1200 K. In addition, due to its porous and anisotropic geometry, the Young's modulus of ID-GY along the diagonal direction is lower than that of most 2D materials reported previously. Equally important, ID-GY exhibits strong refraction near infrared (IR) and has potential for applications in nanoelectronics and optical devices. These results, based on density functional theory, can stimulate experimental studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Manipulating ferroelectric behaviors via electron-beam induced crystalline defects

Ferroelectric nanoplates are attractive for applications in nanoelectronic devices. Defect engineering has been an effective way to control and manipulate ferroelectric properties in nanoscale devices. Defects can act as pinning centers for ferroelectric domain wall motion, altering the switching properties and domain dynamics of ferroelectrics. However, there is a lack of detailed investigation on the interactions between defects and domain walls in ferroelectric nanoplates due to the limitation of previous characterization techniques, which impedes the development of defect engineering in ferroelectric nanodevices. In this study, we applied in situ biasing transmission electron microscopy to explore how dislocation loops, which were judiciously introduced into barium titanate nanoplates via electron beam irradiation, affect the motion of ferroelectric domain walls. The results show that the motion was dramatically suppressed by these localized defects, because of the local strain fields induced by the defects. Additionally, the pinning effect can be further enhanced by multiple domain walls embedded with defect arrays. These results indicate the possibility of manipulating domain switching in ferroelectric nanoplates via the electron beam.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Tailorable multifunctionalities in ultrathin 2D Bi-based layered supercell structures

Two-dimensional (2D) materials with robust ferromagnetic behavior have attracted great interest because of their potential applications in next-generation nanoelectronic devices. Aside from graphene and transition metal dichalcogenides, Bi-based layered oxide materials are a group of prospective candidates due to their superior room-temperature multiferroic response. In this work, an ultrathin Bi 3 Fe 2 Mn 2 O 10+δ layered supercell (BFMO322 LS) structure was deposited on an LaAlO 3 (LAO) (001) substrate using pulsed laser deposition. Microstructural analysis suggests that a layered supercell (LS) structure consisting of two-layer-thick Bi–O slabs and two-layer-thick Mn/Fe–O octahedra slabs was formed on top of the pseudo-perovskite interlayer (IL). A robust saturation magnetization value of 129 and 96 emu cm -3 is achieved in a 12.3 nm thick film in the in-plane (IP) and out-of-plane (OP) directions, respectively. The ferromagnetism, dielectric permittivity, and optical bandgap of the ultrathin BFMO films can be effectively tuned by thickness and morphology variation. In addition, the anisotropy of all ultrathin BFMO films switches from OP dominating to IP dominating as the thickness increases. This study demonstrates the ultrathin BFMO film with tunable multifunctionalities as a promising candidate for novel integrated spintronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Manipulating topological Hall-like signatures by interface engineering in epitaxial ruthenate/manganite heterostructures

Topologically protected non-trivial spin textures (e.g. skyrmions) give rise to a novel phenomenon called the topological Hall effect (THE) and have promising implications in future energy-efficient nanoelectronic and spintronic devices. Here, we have studied the Hall effect in SrRuO 3 /La 0.42 Ca 0.58 MnO 3 (SRO/LCMO) bilayers. Our investigation suggests that pure SRO has hard and soft magnetic characteristics but the anomalous Hall effect (AHE) in SRO is governed by the high coercivity phase. Here, we have shown that the proximity effect of a soft magnetic LCMO on SRO plays a critical role in interfacial magnetic coupling and transport properties in SRO. Upon reducing the SRO thickness in the bilayer, the proximity effect becomes the dominant feature, enhancing the magnitude and temperature range of THE-like signatures. The THE-like features in bilayers can be explained by a diffusive Berry phase transition model in the presence of an emergent magnetic state due to interface coupling. This work provides an alternative understanding of THE-like signatures and their manipulation in SRO-based heterostructures, bilayers and superlattices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Diffusion of n-type dopants in germanium

Germanium is being actively considered by the semiconductor community as a mainstream material for nanoelectronic applications. Germanium has advantageous materials properties; however, its dopant-defect interactions are less understood as compared to the mainstream material, silicon. The understanding of self- and dopant diffusion is essential to form well defined doped regions. Although p-type dopants such as boron exhibit limited diffusion, n-type dopants such as phosphorous, arsenic, and antimony diffuse quickly via vacancy-mediated diffusion mechanisms. In the present review, we mainly focus on the impact of intrinsic defects on the diffusion mechanisms of donor atoms and point defect engineering strategies to restrain donor atom diffusion and to enhance their electrical activation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tuning spin transport properties and molecular magnetoresistance through contact geometry

Molecular spintronics seeks to unite the advantages of using organic molecules as nanoelectronic components, with the benefits of using spin as an additional degree of freedom. For technological applications, an important quantity is the molecular magnetoresistance. In this work, we show that this parameter is very sensitive to the contact geometry. To demonstrate this, we perform ab initio calculations, combining the non-equilibrium Green's function method with density functional theory, on a dithienylethene molecule placed between spin-polarized nickel leads of varying geometries. We find that, in general, the magnetoresistance is significantly higher when the contact is made to sharp tips than to flat surfaces. Interestingly, this holds true for both resonant and tunneling conduction regimes, i.e., when the molecule is in its “closed” and “open” conformations, respectively. We find that changing the lead geometry can increase the magnetoresistance by up to a factor of ∼5. We also introduce a simple model that, despite requiring minimal computational time, can recapture our ab initio results for the behavior of magnetoresistance as a function of bias voltage. This model requires as its input only the density of states on the anchoring atoms, at zero bias voltage. We also find that the non-resonant conductance in the open conformation of the molecule is significantly impacted by the lead geometry. As a result, the ratio of the current in the closed and open conformations can also be tuned by varying the geometry of the leads, and increased by ∼400%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Semiconductor to metal transition by tuning the location of N{sub 2}{sup AA} in armchair graphene nanoribbons

The electronic band structures and transport properties of N{sub 2}{sup AA}-doped armchair graphene nanoribbons (aGNRs) with two quasi-adjacent substitutional nitrogen atoms incorporated in pairs of neighboring carbon atoms in the same sublattice A are investigated by using non-equilibrium Green function formalism in combination with density functional theory. The results show that the coupling effect between the Pz orbitals of carbon and nitrogen atoms plays an important role in the transition between semiconductor and metal by different locations of N{sub 2}{sup AA}-doped aGNRs. And the striking negative differential resistance behaviors can be found in such devices. These tremendous properties suggest potential application of N{sub 2}{sup AA}-doped aGNRs in graphene-based nanoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interface and nanostructure evolution of cobalt germanides on Ge(001)

Cobalt germanide (Co{sub x}Ge{sub y}) is a candidate system for low resistance contact modules in future Ge devices in Si-based micro and nanoelectronics. In this paper, we present a detailed structural, morphological, and compositional study on Co{sub x}Ge{sub y} formation on Ge(001) at room temperature metal deposition and subsequent annealing. Scanning tunneling microscopy and low energy electron diffraction clearly demonstrate that room temperature deposition of approximately four monolayers of Co on Ge(001) results in the Volmer Weber growth mode, while subsequent thermal annealing leads to the formation of a Co-germanide continuous wetting layer which evolves gradually towards the growth of elongated Co{sub x}Ge{sub y} nanostructures. Two types of Co{sub x}Ge{sub y} nanostructures, namely, flattop- and ridge-type, were observed and a systematic study on their evolution as a function of temperature is presented. Additional transmission electron microscopy and x-ray photoemission spectroscopy measurements allowed us to monitor the reaction between Co and Ge in the formation process of the Co{sub x}Ge{sub y} continuous wetting layer as well as the Co{sub x}Ge{sub y} nanostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Realistic-contact-induced enhancement of rectifying in carbon-nanotube/graphene-nanoribbon junctions

Carbon-nanotube/graphene-nanoribbon junctions were recently fabricated by the controllable etching of single-walled carbon-nanotubes [Wei et al., Nat. Commun. 4, 1374 (2013)] and their electronic transport properties were studied here. First principles results reveal that the transmission function of the junctions show a heavy dependence on the shape of contacts, but rectifying is an inherent property which is insensitive to the details of contacts. Interestingly, the rectifying ratio is largely enhanced in the junction with a realistic contact and the enhancement is insensitive to the details of contact structures. The stability of rectifying suggests a significant feasibility to manufacture realistic all-carbon rectifiers in nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Photon assisted current in molecular nanojunctions with novel types of contacts

We propose new approaches to coherent control of transport via molecular junctions, which bypasses several of the hurdles to experimental realization of optically manipulated nanoelectronics noted in the previous literature. The first method is based on the application of intrinsic semiconductor contacts and optical frequencies below the semiconductor bandgap. Our analytical theory predicts a new phenomenon, referred to as coherent destruction of induced tunnelling, which extends the phenomenon of coherent destruction of tunnelling frequently discussed in the previous literature. We also propose to use graphene electrodes as a platform for effective photon assisted tunneling through molecular conduction nanojunctions. We predict dramatic increasing currents evaluated at side-band energies ∼nħω (n is a whole number) related to the modification of graphene gapless spectrum under the action of external electromagnetic field of frequency ω. Our results illustrate the potential of semiconductor and graphene contacts in coherent control of photocurrent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Stacking-dependent electronic structure of bilayer silicene

Bilayer silicene (BLS) is a class of material that possibly holds both topological and superconducting properties; however, its structure is not fully understood. By scanning stacking modes and lattice constants using first principles calculations, several meta-stable configurations are identified, including a slightly faulted-AA packing structure, named slide-2AA. Different from the metallic properties of conventional AA and AB stacking forms, band structure of slide-2AA bilayer presents a sizeable indirect energy gap of ∼1.16 eV. A metal-semiconductor phase transition along the sliding pathway with a small energy barrier is also observed, indicating its electronic properties can be easily tuned by applying small shear force along the BLS surface plane. Such unique quantitative relationship of structure and electronic properties has profound implications in nanoelectronics and electromechanical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effect of gamma irradiation on electrical properties of Cu nanowires

Metallic nanowires are of great interest due to their unique electrical, optical, chemical and magnetic properties. Characterization and explanations of electronic properties of nanowires are extremely important due to their potential applications in the field of nanoelectronics and optoelectronics. In the present study, we synthesized the copper nanowires of different diameters (80nm, 100nm and 200nm) and exposed them with gamma rays of 100 KGy and 150 KGy doses. The I-V characteristics of different diameter of Cu nanowires before and after the irradiation were recorded.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effect of top metal contact on the electrical properties of suspended spiral multiwalled carbon nanotube

The electrical transport behavior of individual spiral multiwalled carbon nanotube (MWCNT), functionalized via chemical route, has been investigated. The electrical current and conductance of such dangling bond attached tube, has been increased, after deposition of platinum (Pt) metal contacts at the two ends using electron beam induced deposition technique (EBID). The increment in the conductance is explained in terms of the change in the density of the states (DOS) near the Fermi level by dangling bonds and Pt atoms presence on the tube. Scanning electron microscope (SEM) image confirms its spiral nature after functionalization. Current –voltage measurements reveal a significant enhancement in the electrical transport of the same tube after the deposition of side metal contact. These results can be useful for the fabrication of nanoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Graphene-assisted near-field radiative heat transfer between corrugated polar materials

Graphene has attracted great attention in nanoelectronics, optics, and energy harvesting. Here, the near-field radiative heat transfer between graphene-covered corrugated silica is investigated based on the exact scattering theory. It is found that graphene can improve the radiative heat flux between silica gratings by more than one order of magnitude and alleviate the performance sensitivity to lateral shift. The underlying mechanism is mainly attributed to the improved photon tunneling of modes away from phonon resonances. Besides, coating with graphene leads to nonlocal radiative transfer that breaks Derjaguin's proximity approximation and enables corrugated silica to outperform bulk silica in near-field radiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Carbon nanotube quantum dots on hexagonal boron nitride

We report the fabrication details and low-temperature characteristics of carbon nanotube (CNT) quantum dots on flakes of hexagonal boron nitride (hBN) as substrate. We demonstrate that CNTs can be grown on hBN by standard chemical vapor deposition and that standard scanning electron microscopy imaging and lithography can be employed to fabricate nanoelectronic structures when using optimized parameters. This proof of concept paves the way to more complex devices on hBN, with more predictable and reproducible characteristics and electronic stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Energy band modulation of graphane by hydrogen-vacancy chains: A first-principles study

We investigated a variety of configurations of hydrogen-vacancy chains in graphane by first-principles density functional calculation. We found that graphane with two zigzag H-vacancy chains segregated by one or more H chain is generally a nonmagnetic conductor or has a negligible band gap. However, the same structure is turned into a semiconductor and generates a magnetic moment if either one or both of the vacancy chains are blocked by isolated H atoms. If H-vacancy chains are continuously distributed, the structure is similar to a zigzag graphene nanoribbon embedded in graphane. It was also found that the embedded zigzag graphene nanoribbon is antiferromagnetic, and isolated H atoms left in the 2-chain nanoribbon can tune the band gap and generate net magnetic moments. Similar effects are also obtained if bare carbon atoms are present outside the nanoribbon. These results are useful for designing graphene-based nanoelectronic circuits.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Compact chromium oxide thin film resistors for use in nanoscale quantum circuits

We report on the electrical characterisation of a series of thin amorphous chromium oxide (CrO{sub x}) films, grown by dc sputtering, to evaluate their suitability for use as on-chip resistors in nanoelectronics. By increasing the level of oxygen doping, the room-temperature sheet resistance of the CrO{sub x} films was varied from 28 Ω/◻ to 32.6 kΩ/◻. The variation in resistance with cooling to 4.2 K in liquid helium was investigated; the sheet resistance at 4.2 K varied with composition from 65 Ω/◻ to above 20 GΩ/◻. All of the films measured displayed linear current–voltage characteristics at all measured temperatures. For on-chip devices for quantum phase-slip measurements using niobium–silicon nanowires, interfaces between niobium–silicon and chromium oxide are required. We also characterised the contact resistance for one CrO{sub x} composition at an interface with niobium–silicon. We found that a gold intermediate layer is favourable: the specific contact resistivity of chromium-oxide-to-gold interfaces was 0.14 mΩcm{sup 2}, much lower than the value for direct CrO{sub x} to niobium–silicon contact. We conclude that these chromium oxide films are suitable for use in nanoscale circuits as high-value resistors, with resistivity tunable by oxygen content.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Fabrication and optical properties of multishell InAs quantum dots on GaAs nanowires

Hybrid nanostructures combining nanowires with quantum dots promote the development of nanoelectronic and nanophotonic devices with integrated functionalities. In this work, we present a complex nanostructure with multishell quantum dots grown on nanowires. 1–4 shells of Stranski-Krastanov InAs quantum dots are grown on the sidewalls of GaAs nanowires by metal organic chemical vapor deposition. Different dot shells are separated by 8 nm GaAs spacer shells. With increasing the number of shells, the quantum dots become sparser and tend to align in one array, which is caused by the shrinkage of facets on which dots prefer to grow as well as the strain fields produced by the lower set of dots which influences the migration of In adatoms. The size of quantum dots increases with the increase of shell number due to enhanced strain fields coupling. The spectra of multishell dots exhibit multiwavelength emission, and each peak corresponds to a dot shell. This hybrid structure may serve as a promising element in nanowire intermediate band solar cells, infrared nanolasers, and photodetectors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗