Materials Science (cond-mat.mtrl-sci)

Abstract: Resonant absorption of a photon by bound electrons in a solid can promote an electron to another orbital state or transfer it to a neighboring atomic site. Such a transition in a magnetically ordered material could affect the magnetic order. While this process is an obvious road map for optical control of magnetization, experimental demonstration of such a process remains challenging. Exciting a significant fraction of magnetic ions requires a very intense incoming light beam, as orbital resonances are often weak compared to above-band-gap excitations. In the latter case, a sizeable reduction of the magnetization occurs as the absorbed energy increases the spin temperature, masking the non-thermal optical effects. Here, using ultrafast x-ray spectroscopy, we were able to resolve changes in the magnetization state induced by resonant absorption of infrared photons in Co-doped yttrium iron garnet, with negligible thermal effects. We found that the optical excitation of the Co ions affects the two distinct magnetic Fe sublattices differently, resulting in a transient non-collinear magnetic state. The present results indicate that the all-optical magnetization switching most likely occurs due to the creation of a transient, non-collinear magnetic state followed by coherent spin rotations of the Fe moments.

Abstract: In this article, we report some examples of how high-energy electron irradiation can be used as a tool for shaping material properties turning the generation of point-defects into an advantage beyond the presumed degradation of the properties. Such an approach is radically different from what often occurs when irradiation is used as a test for radiation hard materials or devices degradation in harsh environments. We illustrate the potential of this emerging technique by results obtained on two families of materials, namely semiconductors and superconductors.

Abstract: The computational study of energy storage and conversion processes call for simulation techniques that can reproduce the electronic response of metal electrodes under electric fields. Despite recent advancements in machine-learning methods applied to electronic-structure properties, predicting the non-local behaviour of the charge density in electronic conductors remains a major open challenge. We combine long-range and equivariant kernel methods to predict the Kohn-Sham electron density of metal electrodes decomposed on an atom-centered basis. By taking slabs of gold as an example, we show that including long-range correlations into the learning model is essential to accurately reproduce the charge density and potential in bare electrodes of increasing size. A finite-field extension of the method is then introduced, which allows us to predict the charge transfer and the electrostatic potential drop induced by the application of an external electric field. Finally, we demonstrate the capability of the method to extrapolate the non-local electronic polarization generated by the interaction with an ionic species for electrodes of arbitrary thickness. Our study represents an important step forward in the accurate simulation of energy materials that include metallic interfaces.

Abstract: Silicon carbide (SiC) is an important semiconductor material for fabricating power electronic devices that exhibit higher switch frequency, lower energy loss and substantial reduction both in size and weight in comparison with its Si-based counterparts1-4. Currently, most devices, such as metal-oxide-semiconductor field effect transistors, which are core devices used in electric vehicles, photovoltaic industry and other applications, are fabricated on a hexagonal polytype 4H-SiC because of its commercial availability5. Cubic silicon carbide (3C-SiC), the only cubic polytype, has a moderate band gap of 2.36 eV at room-temperature, but a superior mobility and thermal conduction than 4H-SiC4,6-11. Moreover, the much lower concentration of interfacial traps between insulating oxide gate and 3C-SiC helps fabricate reliable and long-life devices7-10,12-14. The growth of 3C-SiC crystals, however, has remained a challenge up to now despite of decades-long efforts by researchers because of its easy transformation into other polytypes during growth15-19, limiting the 3C-SiC based devices. Here, we report that 3C-SiC can be made thermodynamically favored from nucleation to growth on a 4H-SiC substrate by top-seeded solution growth technique(TSSG), beyond what's expected by classic nucleation theory. This enables the steady growth of quality and large sized 3C-SiC crystals (2~4-inch in diameter and 4.0~10.0 mm in thickness) sustainable. Our findings broaden the mechanism of hetero-seed crystal growth and provide a feasible route to mass production of 3C-SiC crystals,offering new opportunities to develop power electronic devices potentially with better performances than those based on 4H-SiC.

Abstract: Controlling materials to create and tune topological phases of matter could potentially be used to explore new phases of topological quantum matter and to create novel devices where the carriers are topologically protected. It has been demonstrated that a trivial insulator can be converted into a topological state by modulating the spin-orbit interaction or the crystal lattice. However, there are limited methods to controllably and efficiently tune the crystal lattice and at the same time perform electronic measurements at cryogenic temperatures. Here, we use large controllable strain to demonstrate the topological phase transition from a weak topological insulator phase to a strong topological insulator phase in high-quality HfTe5 samples. After applying high strain to HfTe5 and converting it into a strong topological insulator, we found that the sample's resistivity increased by more than two orders of magnitude (24,000%) and that the electronic transport is dominated by the topological surface states at cryogenic temperatures. Our findings show that HfTe5 is an ideal material for engineering topological properties, and it could be generalized to study topological phase transitions in van der Waals materials and heterostructures. These results can pave the way to create novel devices with applications ranging from spintronics to fault-tolerant topologically protected quantum computers.

Abstract: When the elastic properties of structured materials become direction-dependent, the number of their descriptors increases. For example, in two-dimensions, the anisotropic behavior of materials is described by up to 6 independent elastic stiffness parameters, as opposed to only 2 needed for isotropic materials. Such high number of parameters expands the design space of structured materials and leads to unusual phenomena, such as materials that can shear under uniaxial compression. However, an increased number of properties descriptors and the coupling between shear and normal deformations render the experimental evaluation of material properties more challenging. In this paper, we propose a methodology based on the virtual fields method to identify six separate stiffness tensor parameters of two-dimensional anisotropic structured materials using just one tension test, thus eliminating the need for multiple experiments, as it is typical in traditional methods. The approach requires no stress data and uses full-field displacement data and global force data. We show the accuracy of our method using synthetic data generated from finite element simulations as well as experimental data from additively manufactured specimens

Abstract: The lattice strain induced by metallic electrodes can impair the functionality of advanced quantum devices operating with electron or hole spins. Here we investigate the deformation induced by CMOS-manufactured titanium nitride electrodes on the lattice of a buried, 10 nm-thick Si/SiGe Quantum Well by means of nanobeam Scanning X-ray Diffraction Microscopy. We were able to measure TiN electrode-induced local modulations of the strain tensor components in the range of $2 - 8 \times 10^{-4}$ with ~60 nm lateral resolution. We have evaluated that these strain fluctuations are reflected into local modulations of the potential of the conduction band minimum larger than 2 meV, which is close to the orbital energy of an electrostatic quantum dot. We observe that the sign of the strain modulations at a given depth of the quantum well layer depends on the lateral dimensions of the electrodes. Since our work explores the impact of device geometry on the strain-induced energy landscape, it enables further optimization of the design of scaled CMOS-processed quantum devices.