Materials Science (cond-mat.mtrl-sci)

Abstract: Chirality-induced spin selectivity (CISS) has been extensively studied over the past two decades. While current-induced spin polarization in chiral molecules is widely recognized as the fundamental principle of the CISS, only a few studies have been reported on bias-current-free CISS, where there is no bias electric current in chiral molecules. In this paper, we discuss the microscopic origin of bias-free CISS using chiral molecule/ferromagnet bilayer systems. Recent studies on the chirality-induced exchange bias and current-in-plane magnetoresistance (CIP-MR) effects indicate that chiral molecules possess thermally driven broken-time-reversal symmetry at the interface, which induces bias-current-free CISS, i.e. a spontaneous effective magnetic field in the system. We also discuss the possibility of the linear magnetoelectric effect of chiral molecules at the interface and its potential impact on the observed CISS phenomena.

Abstract: We have investigated structural, electronic and magnetic properties of H$_2$Pc on Fe$_2$N/Fe using low-energy electron diffraction and soft x-ray absorption spectroscopy/x-ray magnetic circular dichroism. Element specific magnetization curves reveal that the magnetic coupling with H$_2$Pc enhances the perpendicular magnetic anisotropy of Fe$_2$N/Fe at the H$_2$Pc coverage of 1 molecular layer. However, adding two and three molecular layers of H$_2$Pc reverts the shape of magnetization curve back to the initial state before H$_2$Pc deposition. We successfully link appearance and disappearance of the magnetic coupling at the H$_2$Pc-Fe$_2$N/Fe interface with the change of hybridization strength at N sites accompanied by the increase in the H$_2$Pc coverage.

Abstract: The investigation of chemical reactions during the ion irradiation is a frontier for the study of the ion-material interaction. In order to derive the contribution of bond formation to chemistry of ion produced nanoclusters, the valence electron energy loss spectroscopy (VEELS) was exploited to investigate the Ga$^+$ ion damage in Al$_2$O$_3$, InP and InGaAs, where each target material has been shown to yield different process for altering the clustering of recoil atoms: metallic Ga, metallic In and InGaP clusters in Al$_2$O$_3$, InP and InGaAs respectively. Supporting simulations based on Monte Carlo and crystal orbital Hamiltonianindicate that the chemical constitution of cascade induced nano-precipitates is a result of a competition between interstitial/vacancy consumption rate and preferential bond formation.

Abstract: We present a method to constrain local charge multipoles within density-functional theory. Such multipoles quantify the anisotropy of the local charge distribution around atomic sites and can indicate potential hidden orders. Our method allows selective control of specific multipoles, facilitating a quantitative exploration of the energetic landscape outside of local minima. Thus, it enables a clear distinction between electronically and structurally driven instabilities. We demonstrate the effectiveness of this method by applying it to charge quadrupoles in the prototypical orbitally ordered material KCuF$_3$. We quantify intersite multipole-multipole interactions as well as the energy-lowering related to the formation of an isolated local quadrupole. We also map out the energy as a function of the size of the local quadrupole moment around its local minimum, enabling quantification of multipole fluctuations around their equilibrium value. Finally, we study charge quadrupoles in the solid solution KCu$_{1-x}$Zn$_x$F$_3$ to characterize the behavior across the tetragonal-to-cubic transition. Our method provides a powerful tool for studying symmetry breaking in materials with coupled electronic and structural instabilities and potentially hidden orders.

Abstract: We have developed a state-of-the-art apparatus for laser-based spin- and angle-resolved photoemission spectroscopy with micrometer spatial resolution (micro-SARPES). This equipment is achieved through the combination of a high-resolution photoelectron spectrometer, a 6-eV laser with high photon flux that is focused down to a few micrometers, a high-precision sample stage control system, and a double very-low-energy-electron-diffraction spin detector. The setup achieves an energy resolution of 1.5 (5.5) meV without (with) the spin detection mode, compatible with a spatial resolution better than 10 micrometers. This enables us to probe both spatially-resolved electronic structures and vector information of spin polarization in three dimensions. The performance of micro-SARPES apparatus is demonstrated by presenting ARPES and SARPES results from topological insulators and Au photolithography patterns on a Si (001) substrate.

Abstract: An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for electric field applied along the long axis of the nanowires. We find that the energy density \textit{versus} temperature curve adopts a nonlinear, mostly temperature-independent response when the system exhibits phases possessing an out-of-plane polarization and vortices while the energy density more linearly increases with temperature when the nanocomposite either only possesses vortices (and thus no spontaneous polarization) or is in a paraelectric and paratoroidic phase for its equilibrium state. Ultrahigh energy density up to $\simeq$140 J/cm$^{3}$ and an ideal 100% efficiency are also predicted in this nanocomposite. A phenomenological model, involving a coupling between polarization and toroidal moment, is further proposed to interpret these energy density results.

Abstract: Medium- and high-entropy alloys (M/HEAs) mix multiple principal elements with near-equiatomic composition and represent a paradigm-shift strategy for designing new materials for metallurgy, catalysis, and other fields. One of the core hypotheses of M/HEAs is lattice distortion. However, experimentally determining the 3D local lattice distortion in M/HEAs remains a challenge. Additionally, the presumed random elemental mixing in M/HEAs has been questioned by atomistic simulations, energy dispersive x-ray spectroscopy (EDS), and electron diffraction, which suggest the existence of local chemical order in M/HEAs. However, the 3D local chemical order has eluded direct experimental observation since the EDS elemental maps integrate the composition of atomic columns along the zone axes, and the diffuse reflections/streaks in electron diffraction of M/HEAs may originate from planar defects. Here, we determine the 3D atomic positions of M/HEA nanocrystals using atomic electron tomography, and quantitatively characterize the local lattice distortion, strain tensor, twin boundaries, dislocation cores, and chemical short-range order (CSRO) with unprecedented 3D detail. We find that the local lattice distortion and strain tensor in the HEAs are larger and more heterogeneous than in the MEAs. We observe CSRO-mediated twinning in the MEAs. that is, twinning occurs in energetically unfavoured CSRO regions but not in energetically favoured CSRO ones. This observation confirms the atomistic simulation results of the bulk CrCoNi MEA and represents the first experimental evidence of correlating local chemical order with structural defects in any material system. We expect that this work will not only expand our fundamental understanding of this important class of materials, but also could provide the foundation for tailoring M/HEA properties through lattice distortion and local chemical order.

Abstract: Stereolithographic 3D-printing (SLA) permits facile fabrication of high-precision microfluidic and lab-on-a-chip devices. SLA photopolymers often yield parts with low mechanical compliancy in sharp contrast to elastomers such as poly (dimethyl siloxane) (PDMS). On the other hand, SLA-printable elastomers with soft mechanical properties do not fulfill the distinct requirements for a highly manufacturable resin in microfluidics (e.g., high-resolution printability, transparency, low-viscosity). These limitations restrict our ability to SLA-print efficient microfluidic actuators containing dynamic, movable elements. Here we introduce low-viscous photopolymer resins based on a tunable blend of poly(ethylene glycol) diacrylate (PEGDA, Mw~258) and poly (ethylene glycol methyl ether) methacrylate (PEGMEMA, Mw~300) monomers. In these blends, which we term PEGDA-co-PEGMEMA, tuning the PEGMEMA-to-PEGDA ratio alters the elastic modulus of the printed plastics by ~400-fold, reaching that of PDMS. Through the addition of PEGMEMA, moreover, PEGDA-co-PEGMEMA retains desirable properties of highly manufacturable PEGDA such as low viscosity, solvent compatibility, cytocompatibility and low drug absorptivity. With PEGDA-co-PEGMEMA, we SLA-printed drastically enhanced fluidic actuators including microvalves, micropumps, and microregulators with a hybrid structure containing a flexible PEGDA-co-PEGMEMA membrane within a rigid PEGDA housing.

Abstract: Nanoscale ferroelectric 2D materials offer unique opportunity to investigate curvature and strain effects on materials functionalities. Among these, CuInP2S6 (CIPS) has attracted tremendous research interest in recent years due to combination of room temperature ferroelectricity, scalability to a few layers thickness, and unique ferrielectric properties due to coexistence of 2 polar sublattices. Here, we explore the local curvature and strain effect on the polarization in CIPS via piezoresponse force microscopy and spectroscopy. To explain the observed behaviors and decouple the curvature and strain effects in 2D CIPS, we introduce finite element Landau-Ginzburg-Devonshire model. The results show that bending induces ferrielectric domains in CIPS, and the polarization-voltage hysteresis loops differ in bending and non-bending regions. Our simulation indicates that the flexoelectric effect can affect local polarization hysteresis. These studies open a novel pathway for the fabrication of curvature-engineered nanoelectronic devices.