Symmetry degeneration and room temperature ferroelectricity in ion-irradiated SrTiO3.

Polar phonon modes associated with room temperature ferroelectricity are observed in SrTiO3 single crystals irradiated with Ti ions. Quantitative strain analysis reveals that irradiation-induced out-of-plane strain drives the centrosymmetric cubic SrTiO3 to a tetragonal-like structure in the maximum damaged region. Energy transfer from ions to electrons during ion irradiation yields defects in SrTiO3 that also plays an important role for the room temperature ferroelectricity. Different from thin film techniques, the ferroelectricity in the ion irradiated SrTiO3 can occur for much larger thicknesses, depending on the energy and type of ion.

Effects of chemical alternation on damage accumulation in concentrated solid-solution alloys.

Single-phase concentrated solid-solution alloys (SP-CSAs) have recently gained unprecedented attention due to their promising properties. To understand effects of alloying elements on irradiation-induced defect production, recombination and evolution, an integrated study of ion irradiation, ion beam analysis and atomistic simulations are carried out on a unique set of model crystals with increasing chemical complexity, from pure Ni to Ni80Fe20, Ni50Fe50, and Ni80Cr20 binaries, and to a more complex Ni40Fe40Cr20 alloy. Both experimental and simulation results suggest that the binary and ternary alloys exhibit higher radiation resistance than elemental Ni. The modeling work predicts that Ni40Fe40Cr20 has the best radiation tolerance, with the number of surviving Frenkel pairs being factors of 2.0 and 1.4 lower than pure Ni and the 80:20 binary alloys, respectively. While the reduced defect mobility in SP-CSAs is identified as a general mechanism leading to slower growth of large defect clusters, the effect of specific alloying elements on suppression of damage accumulation is clearly demonstrated. This work suggests that concentrated solid-solution provides an effective way to enhance radiation tolerance by creating elemental alternation at the atomic level. The demonstrated chemical effects on defect dynamics may inspire new design principles of radiation-tolerant structural alloys for advanced energy systems.

Ionization-induced annealing of pre-existing defects in silicon carbide.

A long-standing objective in materials research is to effectively heal fabrication defects or to remove pre-existing or environmentally induced damage in materials. Silicon carbide (SiC) is a fascinating wide-band gap semiconductor for high-temperature, high-power and high-frequency applications. Its high corrosion and radiation resistance makes it a key refractory/structural material with great potential for extremely harsh radiation environments. Here we show that the energy transferred to the electron system of SiC by energetic ions via inelastic ionization can effectively anneal pre-existing defects and restore the structural order. The threshold determined for this recovery process reveals that it can be activated by 750 and 850 keV Si and C self-ions, respectively. The results conveyed here can contribute to SiC-based device fabrication by providing a room-temperature approach to repair atomic lattice structures, and to SiC performance prediction as either a functional material for device applications or a structural material for high-radiation environments.

Predictive modeling of synergistic effects in nanoscale ion track formation.

Molecular dynamics techniques in combination with the inelastic thermal spike model are used to study the coupled effects of the inelastic energy loss due to 21 MeV Ni ion irradiation with pre-existing defects in SrTiO3. We determine the dependence on pre-existing defect concentration of nanoscale track formation occurring from the synergy between the inelastic energy loss and the pre-existing atomic defects. We show that the size of nanoscale ion tracks can be controlled by the concentration of pre-existing disorder. This work identifies a major gap in fundamental understanding on the role of defects in electronic energy dissipation and electron-lattice coupling.

Synergy of elastic and inelastic energy loss on ion track formation in SrTiO3.

While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontium titanate (SrTiO3), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties.

Nanoscale engineering of radiation tolerant silicon carbide.

Radiation tolerance is determined by how effectively the microstructure can remove point defects produced by irradiation. Engineered nanocrystalline SiC with a high-density of stacking faults (SFs) has significantly enhanced recombination of interstitials and vacancies, leading to self-healing of irradiation-induced defects. While single crystal SiC readily undergoes an irradiation-induced crystalline to amorphous transformation at room temperature, the nano-engineered SiC with a high-density of SFs exhibits more than an order of magnitude increase in radiation resistance. Molecular dynamics simulations of collision cascades show that the nano-layered SFs lead to enhanced mobility of interstitial Si atoms. The remarkable radiation resistance in the nano-engineered SiC is attributed to the high-density of SFs within nano-sized grain structures that significantly enhance point defect annihilation.

Tip-morphology-dependent field emission from ZnO nanorod arrays.

Vertically well-aligned ZnO nanorod arrays with three kinds of tip morphology-abruptly sharpened, tapered and plane-have been controllably fabricated with wafer size uniformity by vapor phase transport and condensation. Except that the tip morphology is distinctly different, all of these nanorods are single crystalline, growing along their wurtzite 0001 axis, with similar diameters, lengths and densities. The field emission properties of these nanorod arrays are comparatively investigated and are found to be strongly affected by the tip morphology. A nanorod with the abruptly sharpened tip possesses the lowest turn-on and threshold electric fields as well as the highest field enhancement factor. Further analysis reveals that the abruptly sharpened tip morphology can reduce the screening effect more efficiently than the others. These results are very helpful for the design, fabrication and optimization of integrated field emitters using 1D nanostructures as the cathode material.

Probing the strain effect on near band edge emission of a curved ZnO nanowire via spatially resolved cathodoluminescence.

Curved ZnO nanowires were deliberately prepared on a Si substrate and the strain effect on their near band edge (NBE) emission was investigated by spatially resolved cathodoluminescence (CL). By moving the electron beam step-by-step across individual curved nanowires and acquiring the CL spectra simultaneously, we found that the NBE emissions from the inner region of the curved nanowires with compressive strain show blueshift, while those from the outer region with tensile strain show redshift. Both the strains have been estimated from the local curvature by a geometrical model and have been further examined by high-resolution transmission electron microscopy. A nearly linear relation between the strain and the peak energy shift in NBE emission was obtained. The result indicates that the optical band gap of ZnO nanowire is quite sensitive to and can be readily modulated by the induced strain via simply curving the nanowire, which has potential applications for designing new optical-electromechanical (OEM) and flexible optoelectronic nanodevices.