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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tunneling Barrier-Integrated Gold Nanofilms for Negative Strain Gauging with Near-Zero Energy Consumption

Wireless strain sensors with minimal power needs are essential for long-term monitoring in energy-limited environments. We present a soft tunneling barrier-integrated gold thin film for negative strain sensing with near-zero energy consumption. The device features a strain-induced transition from an insulating to a metallic state, increasing conductivity by 9 orders of magnitude under a controlled strain. It consists of Au-PDMS-Au nanofilm layers, where the Au structures are near the percolation threshold and the PDMS layer acts as a tunneling barrier. Under strain, thinning due to the Poisson effect lowers the barrier’s potential height, enabling electron tunneling and forming an electrical path. Further, with a standby power consumption of ~10 –5 mW over 10 6 times lower than conventional sensors (~12.5 mW), this device is ideal for real-time, long-term stationary structural monitoring in multiple locations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Dual Phase Synergy Enabled Large Elastic Strains of Nanoinclusions in a Dislocation Slip Matrix Composite

Freestanding nanomaterials (such as nanowires, nanoribbons and nanotubes) are known to exhibit ultra-large elastic strains and ultra-high strengths. However, harnessing their superior intrinsic mechanical properties in bulk composites has proven to be difficult. A recent breakthrough has overcome this difficulty by using a martensitic phase transforming matrix, in which ultra-large elastic strains approaching the theoretical limit is achieved in Nb nanowires embedded in the matrix. This discovery, whereas breaking a long-standing challenge, still limits our ability of harnessing the exceptional properties of nanomaterials and developing ultrahigh strength bulk materials to a narrow selection of phase transforming alloy matrices. In this study, we investigated the possibility to harness the intrinsic mechanical properties of nanoinclusions in conventional dislocation slip matrix based on a principle of synergy between the inclusion and the matrix. The small spacing between the densely populated hard and dislocation-impenetrable nanoinclusions departmentalize the plastic matrix into small domains to effectively impede dislocation motion within the matrix, inducing significant strengthening and large local elastic strains of the matrix, which in turn induced large elastic strains in the nanoinclusions. This dual phase synergy is verified in a Ti 3 Sn inclusions/B2-NiTi(Fe) plastic matrix model materials system. The maximum elastic strain of Ti 3 Sn inclusion obtained in the dislocation slip matrix is comparable to that achieved in a phase transforming matrix. As a result, this finding opens new opportunities for the development of high-strength nanocomposites.

42 ENGINEERING↗
DOE OSTI2024

Elucidating the Role of InGaAs and InAlAs Buffers on Carrier Dynamics of Tensile-Strained Ge Double Heterostructures

Extensive research efforts of strained germanium (Ge) are currently underway due to its unique properties, namely, (i) possibility of band gap and strain engineering to achieve a direct band gap, thus exhibiting superior radiative properties, and (ii) higher electron and hole mobilities than Si for upcoming technology nodes. Realizing lasing structures is vital to leveraging the benefits of tensile-strained Ge (ε-Ge). Here, we use a combination of different analytical tools to elucidate the effect of the underlying InGaAs/InAlAs and InGaAs overlaying heterostructures on the material quality and strain state of ε-Ge grown by molecular beam epitaxy. Using X-ray analysis, we show the constancy of tensile strain in sub-50 nm ε-Ge in a quantum-well (QW) heterostructure. Further, effective carrier lifetime using photoconductive decay as a function of buffer type exhibited a high (low) defect-limited carrier lifetime of ~68 ns (~13 ns) in 0.61% (0.66%) ε-Ge grown on an InGaAs (InAlAs) buffer. These results correspond well with the measured surface roughness of 1.289 nm (6.303 nm), consistent with the surface effect of the ε-Ge/III–V heterointerface. Furthermore, a reasonably high effective lifetime of ~78 ns is demonstrated in a QW of ~30 nm 1.6% ε-Ge, a moderate reduction from ~99 ns in uncapped ε-Ge, alluding to the surface effect of the overlying heterointerface. Thus, the above results highlight the prime quality of ε-Ge that can be achieved via III–V heteroepitaxy and paves a path for integrated Ge photonics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strain-Driven Mn-Reorganization in Overlithiated Li x Mn 2 O 4 Epitaxial Thin-Film Electrodes

Here, lithium manganate Li x Mn 2 O 4 (LMO) is a lithium ion cathode that suffers from the widely observed but poorly understood phenomenon of capacity loss due to Mn dissolution during electrochemical cycling. Here, operando X-ray reflectivity (low- and high-angle) is used to study the structure and morphology of epitaxial LMO (111) thin film cathodes undergoing lithium insertion and extraction to understand the inter-relationships between biaxial strain and Mn-dissolution. The initially strain-relieved LiMn 2 O 4 films generate in-plane tensile and compressive strains for delithiated (x < 1) and overlithiated (x > 1) charge states, respectively. The results reveal reversible Li insertion into LMO with no measurable Mn-loss for 0 < x < 1, as expected. In contrast, deeper discharge (x > 1) reveals Mn loss from LMO along with dramatic changes in the intensity of the (111) Bragg peak that cannot be explained by Li stoichiometry. These results reveal a partially reversible site reorganization of Mn ions ithin the LMO film that is not seen in bulk reactions and indicates a transition in Mn-layer toichiometry from 3:1 to 2:2 in alternating cation planes. Density functional theory calculations confirm that compressive strains (at x = 2) stabilize LMO structures with 2:2 Mn site distributions, therefore providing new insights into the role of lattice strain in the stability of LMO.

25 ENERGY STORAGE↗
DOE OSTI2022

Real-Time Modulation of Hydrogen Evolution Activity of Graphene Electrodes Using Mechanical Strain

This paper reports the effect of mechanically applied elastic strain on the hydrogen evolution reaction (HER) activity of graphene under acidic conditions. Here, applied tensile strain of 0.2% on a graphene electrode is shown to lead to a 1–3% increase of HER current. Tensile strain increases HER activity while compressive strain decreases it. Density functional theory (DFT) calculations using a periodic graphene slab model show increasing in the adsorption energy of H atom with growing tensile strain, leading to a corresponding enhancement of current density in HER, similar to that observed experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Density Functional Theory Study of Epitaxially Strained Monolayer Transition Metal Chalcogenides for Piezoelectricity Generation

Two-dimensional transition metal chalcogenides (2D TMCs) are known for their wide range of bandgaps, flexibility, and high strength. Recent synthesis and data mining efforts indicate that 56 2D TMCs have low exfoliation energies and are relatively stable in monolayer form. Under epitaxial strain, we predict using density functional theory (DFT) calculations that the majority of these 2D TMCs can accommodate ±10% strain without breaking their crystal symmetry. The elastic and piezoelectric tensors indicate that 22 of 56 candidates are piezoelectric, and we derive their in-plane piezoelectric coefficient d 11 . The epitaxial strain is further predicted to enhance the d 11 by over 100% at 10% tensile epitaxial strain for most of these piezoelectric 2D TMCs. ReSe 2 at pristine state and Au 2 Se 2 at +5% epitaxial strain are predicted to obtain the extreme d 11 coefficients at -120 and 326 pm/V, respectively. Lastly, these findings have implications for the use of high-performance 2D piezoelectric materials in devices.

2D materials↗
DOE OSTI2015

Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from Density Functional Theory (DFT) Studies

Amorphous silica (SiO 2 ) is commonly used as a support in heterogeneous catalysis. However, due to the structural disorder and temperature induced change of surface morphology, the structures of silica supported metal catalysts are difficult to determine. Most studies are primarily focused on understanding the interactions of different types of surface hydroxyl groups with metal ions. In comparison, the effect of siloxane ring size on the structure of silica supported metal catalysts and how it affects catalytic activity is poorly understood. Here, we have used density functional theory calculations to understand the effect of siloxane ring strain on structure and activity of different monomeric Lewis acid metal sites on silica. In particular, we have found that large siloxane rings favor strong dative bonding interaction between metal ion and surface hydroxyls, leading to the formation of high-coordinate metal sites. In comparison, metal-silanol interaction is weak in small siloxane rings, resulting in low-coordinate metal sites. The physical origin of this size dependence is associated with siloxane ring strain, and, a correlation between metal-silanol interaction energy and ring strain energy has been observed. In addition to ring strain, the strength of the metal-silanol interaction also depends on the positive charge density of the cations. In fact, a correlation also exists between metal-silanol interaction energy and charge density of several first-row transition and post-transition metals. The theoretical results are compared with the EXAFS data of monomeric Zn(II) and Ga(III) ions grafted on silica. In conclusion, the molecular level insights of how metal ion coordination on silica depends on siloxane ring strain and cation charge density will be useful in the synthesis of new catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strain-Induced Growth of Twisted Bilayers during the Coalescence of Monolayer MoS 2 Crystals

Tailoring the grain boundaries (GBs) and twist angles between two-dimensional (2D) crystals are two crucial synthetic challenges to deterministically enable envisioned applications such as moiré excitons, emerging magnetism, or single-photon emission. Here, we reveal how twisted 2D bilayers can be synthesized from the collision and coalescence of two growing monolayer MoS 2 crystals during chemical vapor deposition. The twisted bilayer (TB) moiré angles are found to preserve the misorientation angle (θ) of the colliding crystals. The shapes of the TB regions are rationalized by a kink propagation model that predicts the GB formed by the coalescing crystals. Optical spectroscopy measurements reveal a θ-dependent long-range strain in crystals with stitched grain boundaries and a sharp (θ > 20°) threshold for the appearance of TBs, which relieves this strain. Reactive molecular dynamics simulations explain this strain from the continued growth of the crystals during coalescence due to the insertion of atoms at unsaturated defects along the GB, a process that self-terminates when the defects become saturated. The simulations also reproduce atomic-resolution electron microscopy observations of faceting along the GB, which is shown to arise from the growth-induced long-range strain. These facets align with the axes of the colliding crystals to provide favorable nucleation sites for second-layer growth of a TB with twist angles that preserve the misorientation angle θ. This interplay between strain generation and aligned nucleation provides a synthetic pathway for the growth of TBs with deterministic angles.

2D materials↗
DOE OSTI2017

Flexible Quasi-Two-Dimensional CoFe 2 O 4 Epitaxial Thin Films for Continuous Strain Tuning of Magnetic Properties

Epitaxial thin films of CoFe 2 O 4 (CFO) have successfully been transferred from a SrTiO 3 substrate onto a flexible polyimide substrate. By bending the flexible polyimide, different levels of uniaxial strain are continuously introduced into the CFO epitaxial thin films. Unlike traditional epitaxial strain induced by substrates, the strain from bending will not suffer from critical thickness limitation, crystalline quality variation, and substrate clamping, and more importantly, it provides a more intrinsic and reliable way to study strain-controlled behaviors in functional oxide systems. It is found that both the saturation magnetization and coercivity of the transferred films can be changed over the bending status and show a high accord with the movement of the curvature bending radius of the polyimide substrate. Lastly, this reveals that the mechanical strain plays a critical role in tuning the magnetic properties of CFO thin films parallel and perpendicular to the film plane direction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Deterministic Localization of Strain-Induced Single-Photon Emitters in Multilayer GaSe

The nanoscale strain has emerged as a powerful tool for controlling single-photon emitters (SPEs) in atomically thin transition metal dichalcogenides (TMDCs). However, quantum emitters in monolayer TMDCs are typically unstable in ambient conditions. Multilayer TMDCs could be a solution, but they suffer from low quantum efficiency, resulting in low brightness of the SPEs. Here, we report the deterministic spatial localization of strain-induced SPEs in multilayer GaSe by nanopillar arrays. The strain-controlled quantum confinement effect introduces well-isolated sub-bandgap photoluminescence and corresponding suppression of the broad band edge photoluminescence. Clear photon-antibunching behavior is observed from the quantum dot-like GaSe sub-bandgap exciton emission at 3.5 K. The strain-dependent confinement potential and the brightness are found to be strongly correlated, suggesting a promising route for tuning and controlling SPEs. The comprehensive investigations of strain-engineered GaSe SPEs provide a solid foundation for the development of 2D devices for quantum photonic technologies.

2D materials↗
DOE OSTI2015

Strain and stability of ultrathin Ge layers in Si/Ge/Si axial heterojunction nanowires

The abrupt heterointerfaces in the Si/Ge materials system presents useful possibilities for electronic device engineering because the band structure can be affected by strain induced by the lattice mismatch. In planar layers, heterointerfaces with abrupt composition changes are difficult to realize without introducing misfit dislocations. However, in catalytically grown nanowires, abrupt heterointerfaces can be fabricated by appropriate choice of the catalyst. Here we grow nanowires containing Si/Ge and Si/Ge/Si structures respectively with sub-1nm thick Ge "quantum wells" and we measure the interfacial strain fields using geometric phase analysis. Narrow Ge layers show radial strains of several percent, with a corresponding dilation in the axial direction. Si/Ge interfaces show lattice rotation and curvature of the lattice planes. We conclude that high strains can be achieved, compared to what is possible in planar layers. In addition, we study the stability of these heterostructures under heating and electron beam irradiation. The strain and composition gradients are supposed to the cause of the instability for interdiffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dynamic Tuning of a Thin Film Electrocatalyst by Tensile Strain

We report the ability to tune the catalytic activities for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by applying mechanical stress on a highly n-type doped rutile TiO 2 films. We demonstrate through operando electrochemical experiments that the low HER activity of TiO 2 can reversibly approach those of the state-of-the-art non-precious metal catalysts when the TiO2 is under tensile strain. At 3% tensile strain, the HER overpotential required to generate a current density of 1 mA/cm 2 shifts anodically by 260 mV to give an onset potential of 125 mV, representing a drastic reduction in the kinetic overpotential. A similar albeit smaller cathodic shift in the OER overpotential is observed when tensile strain is applied to TiO 2 . Results suggest that significant improvements in HER and OER activities with tensile strain are due to an increase in concentration of surface active sites and a decrease in kinetic and thermodynamics barriers along the reaction pathway(s). Our results highlight that strain applied to TiO 2 by precisely controlled and incrementally increasing (i.e. dynamic ) tensile stress is an effective tool for dynamically tuning the electrocatalytic properties of HER and OER electrocatalysts relative to their activities under static conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Realization of compressively strained GaN films grown on Si(110) substrates by inserting a thin AlN/GaN superlattice interlayer

We investigate the strain properties of GaN films grown by plasma-assisted molecular beam epitaxy on Si(110) substrates. It is found that the strain of the GaN film can be converted from a tensile to a compressive state simply by inserting a thin AlN/GaN superlattice structure (SLs) within the GaN film. The GaN layers seperated by the SLs can have different strain states, which indicates that the SLs plays a key role in the strain modulation during the growth and the cooling down processes. Using this simple technique, we grow a crack-free GaN film exceeding 2-{mu}m-thick. The realization of the compressively strained GaN film makes it possible to grow thick GaN films without crack generation on Si substrates for optic and electronic device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Direct Determination of the Effect of Strain on Domain Morphology in Ferroelectric Superlattices with Scanning Probe Microscopy

A variant of piezo force microscopy was used to characterize the effect of strain on polarization in [(BaTiO3)n/(SrTiO3)m]p superlattices. The measurements were compared to theoretical predictions based on phase-field calculations. When polarization is constrained to be perpendicular to the substrate, the measured polarization and domain morphology agree quantitatively with the predictions. This case allows the presence of an internal electric field in the thin film to be identified. The measured trend in piezoelectric response with strain state was in qualitative agreement with predictions and the differences were consistent with the presence of internal electrical fields. Clear differences in domain morphology with strain were observed and in some cases the lateral anisotropic strain appeared to influence the domain morphology. The differences in magnitude and morphology were attributed to the internal electric fields and anisotropic strains.

effect of strain↗
DOE OSTI2013

Control of tensile strain and interdiffusion in Ge/Si(001) epilayers grown by molecular-beam epitaxy

Tensile-strained and n-doped Ge has emerged as a potential candidate for the realization of optoelectronic devices that are compatible with the mainstream silicon technology. Tensile-strained Ge/Si epilayers can be obtained by using the difference of thermal expansion coefficients between Ge and Si. We have combined various surface, structural, and compositional characterizations to investigate the growth mode and the strain state in Ge/Si epilayers grown by molecular-beam epitaxy. The Ge growth was carried out using a two-step approach: a low-temperature growth to produce relaxed and smooth buffer layers, which is followed by a high-temperature growth to get high quality Ge layers. The existence of a substrate temperature window from 260 to 300 °C is evidenced, which allows to completely suppress the Ge/Si Stranski-Krastanov growth. As a consequence of the high temperature growth, a tensile strain lying in the range of 0.22%–0.24% is obtained. Concerning the effect of thermal annealing, it is shown that cyclic annealing may allow increasing the tensile strain up to 0.30%. Finally, we propose an approach to use carbon adsorption to suppress Si/Ge interdiffusion, which represents one of the main obstacles to overcome in order to realize pure Ge-based optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Strain relaxation in graphene grown by chemical vapor deposition

The growth of single layer graphene by chemical vapor deposition on polycrystalline Cu substrates induces large internal biaxial compressive strain due to thermal expansion mismatch. Raman backscattering spectroscopy and atomic force microscopy were used to study the strain relaxation during and after the transfer process from Cu foil to SiO{sub 2}. Interestingly, the growth of graphene results in a pronounced ripple structure on the Cu substrate that is indicative of strain relaxation of about 0.76% during the cooling from the growth temperature. Removing graphene from the Cu substrates and transferring it to SiO{sub 2} results in a shift of the 2D phonon line by 27 cm{sup −1} to lower frequencies. This translates into additional strain relaxation. The influence of the processing steps, used etching solution and solvents on strain, is investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Vibration responses of h-BN sheet to charge doping and external strain

Based on density functional theory and density functional perturbation theory calculations, we systematically investigate the vibration responses of h-BN sheet to charge doping and external strains. It is found that under hole doping, the phonon frequencies of the ZO and TO branches at different wave vector q shift linearly with different slopes. Under electron doping, although the phonon frequencies shift irregularly, the shifting values are different at different phonon wave vectors. Interestingly, we find that external strain can restrain the irregular vibration responses of h-BN sheet to electron doping. The critical factor is revealed to be the relative position of the nearly free electron and boron p{sub z} states of h-BN sheet. Under external strains, the vibration responses of h-BN sheet are also found to be highly dependent on the phonon branches. Different vibration modes at different q points are revealed to be responsible for the vibration responses of h-BN sheet to charge doping and external strain. Our results point out a new way to detect the doping or strain status of h-BN sheet by measuring the vibration frequencies at different wave vector.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Nonlinear strain dependence of magnetic anisotropy in CoFe{sub 2}O{sub 4} films on MgO(001) substrates

CoFe{sub 2}O{sub 4} films were deposited on MgO(001) substrates using pulsed laser deposition with various laser energy densities. We found that the CoFe{sub 2}O{sub 4} films were grown in the (001) orientation and that the lattice constant of the CoFe{sub 2}O{sub 4} films was dependent on the laser energy densities. Perpendicular magnetic anisotropy (PMA) was observed, but the lattice strain dependence was not consistent with the phenomenological model in which the PMA is in proportion to the lattice strain. The lattice strain dependence of PMA was compared with an electron theory in which the spin-orbit interaction and the tetragonal crystal field in the electronic state of a single Co ion are considered. The experimental result does not contradict with the calculation, which shows that the magnetic anisotropy is not proportional to the lattice strain and asymmetric in respect to negative and positive lattice strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗