Magnetotransport in Graphene/Pb0.24Sn0.76Te Heterostructures: Finding a Way to Avoid Catastrophe.

While heterostructures are ubiquitous tools enabling new physics and device functionalities, the palette of available materials has never been richer. Combinations of two emerging material classes, two-dimensional materials and topological materials, are particularly promising because of the wide range of possible permutations that are easily accessible. Individually, both graphene and Pb1-xSnxTe (PST) are widely investigated for spintronic applications because graphene's high carrier mobility and PST's topologically protected surface states are attractive platforms for spin transport. Here, we combine monolayer graphene with PST and demonstrate a hybrid system with properties enhanced relative to the constituent parts. Using magnetotransport measurements, we find carrier mobilities up to 20 000 cm2/(V s) and a magnetoresistance approaching 100%, greater than either material prior to stacking. We also establish that there are two distinct transport channels and determine a lower bound on the spin relaxation time of 4.5 ps. The results can be explained using the polar catastrophe model, whereby a high mobility interface state results from a reconfiguration of charge due to a polar/nonpolar interface interaction. Our results suggest that proximity induced interface states with hybrid properties can be added to the still growing list of behaviors in these materials.

Ocular counter-roll is less affected in experienced versus novice space crew after long-duration spaceflight.

Otoliths are the primary gravity sensors of the vestibular system and are responsible for the ocular counter-roll (OCR). This compensatory eye torsion ensures gaze stabilization and is sensitive to a head roll with respect to gravity and the Gravito-Inertial Acceleration vector during, e.g., centrifugation. To measure the effect of prolonged spaceflight on the otoliths, we quantified the OCR induced by off-axis centrifugation in a group of 27 cosmonauts in an upright position before and after their 6-month space mission to the International Space Station. We observed a significant decrease in OCR early postflight, larger for first-time compared to experienced flyers. We also found a significantly larger torsion for the inner eye, the eye closest to the rotation axis. Our results suggest that experienced cosmonauts have acquired the ability to adapt faster after G-transitions. These data provide a scientific basis for sending experienced cosmonauts on challenging missions that include multiple g-level transitions.

The Role of Different Afferent Systems in the Modulation of the Otolith-Ocular Reflex After Long-Term Space Flights.

Background: The vestibular (otolith) function is highly suppressed during space flight (SF) and the study of these changes is very important for the safety of the space crew during SF missions. The vestibular function (particularly, otolith-ocular reflex-OOcR) in clinical and space medicine is studied using different methodologies. However, different methods and methodologies can influence the outcome results. Objective: The current study addresses the question of whether the OOcR results obtained by different methods are different, and what the role is of the different afferent systems in the modulation of the OOcR. Methods: A total of 25 Russian cosmonauts voluntarily took part in our study. They are crewmembers of long duration space missions on the International Space Station (ISS). Cosmonauts were examined in pre- and post-flight "Sensory Adaptation" and "Gaze Spin" experiments, twice before (preflight) and three times after SF (post-flight). We used two different video oculography (VOG) systems for the recording of the OOcR obtained in each experiment. Results: Comparison of the two VOG systems didn't result into significant and systematic differences in the OOcR measurements. Analysis of the static torsion otolith-ocular reflex (OOR), static torsion otolith-cervical-ocular reflex (OCOR) and static torsion otolith-ocular reflex during eccentric centrifugation (OOREC) shows that the OOREC results in a lower OOcR response compared to the OOR and OCOR (before flight and late post-flight). However, all OOcRs were significantly decreased in all cosmonauts early post-flight. Conclusion: Analysis of the results of ocular counter rolling (OCR) obtained by different methods (OOR, OCOR, and OOREC) showed that different afferent systems (tactile-proprioception, neck-cervical, visual and vestibular afferent input) have an impact on the OOcR.

Alterations of Functional Brain Connectivity After Long-Duration Spaceflight as Revealed by fMRI.

The present study reports alterations of task-based functional brain connectivity in a group of 11 cosmonauts after a long-duration spaceflight, compared to a healthy control group not involved in the space program. To elicit the postural and locomotor sensorimotor mechanisms that are usually most significantly impaired when space travelers return to Earth, a plantar stimulation paradigm was used in a block design fMRI study. The motor control system activated by the plantar stimulation involved the pre-central and post-central gyri, SMA, SII/operculum, and, to a lesser degree, the insular cortex and cerebellum. While no post-flight alterations were observed in terms of activation, the network-based statistics approach revealed task-specific functional connectivity modifications within a broader set of regions involving the activation sites along with other parts of the sensorimotor neural network and the visual, proprioceptive, and vestibular systems. The most notable findings included a post-flight increase in the stimulation-specific connectivity of the right posterior supramarginal gyrus with the rest of the brain; a strengthening of connections between the left and right insulae; decreased connectivity of the vestibular nuclei, right inferior parietal cortex (BA40) and cerebellum with areas associated with motor, visual, vestibular, and proprioception functions; and decreased coupling of the cerebellum with the visual cortex and the right inferior parietal cortex. The severity of space motion sickness symptoms was found to correlate with a post- to pre-flight difference in connectivity between the right supramarginal gyrus and the left anterior insula. Due to the complex nature and rapid dynamics of adaptation to gravity alterations, the post-flight findings might be attributed to both the long-term microgravity exposure and to the readaptation to Earth's gravity that took place between the landing and post-flight MRI session. Nevertheless, the results have implications for the multisensory reweighting and gravitational motor system theories, generating hypotheses to be tested in future research.

Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure.

A systematic structure search in the La-H and Y-H systems under pressure reveals some hydrogen-rich structures with intriguing electronic properties. For example, LaH10 is found to adopt a sodalite-like face-centered cubic (fcc) structure, stable above 200 GPa, and LaH8 a C2/m space group structure. Phonon calculations indicate both are dynamically stable; electron phonon calculations coupled to Bardeen-Cooper-Schrieffer (BCS) arguments indicate they might be high-Tc superconductors. In particular, the superconducting transition temperature Tc calculated for LaH10 is 274-286 K at 210 GPa. Similar calculations for the Y-H system predict stability of the sodalite-like fcc YH10 and a Tc above room temperature, reaching 305-326 K at 250 GPa. The study suggests that dense hydrides consisting of these and related hydrogen polyhedral networks may represent new classes of potential very high-temperature superconductors.

Quasimolecules in Compressed Lithium.

Under high pressure, some materials form electrides, with valence electrons separated from all atoms and occupying interstitial regions. This is often accompanied by semiconducting or insulating behavior. The interstitial quasiatoms (ISQ) that characterize some high pressure electrides have been postulated to show some of the chemical features of atoms, including the potential of forming covalent bonds. It is argued that in the observed high-pressure semiconducting Li phase (oC40, Aba2), an example of such quasimolecules is realized. The theoretical evaluation of electron density, electron localization function, Wannier orbitals, and bond indices forms the evidence for covalently bonded ISQ pairs in this material. The quasimolecule concept thus provides a simple chemical perspective on the unusual insulating behavior of such materials, complementing the physical picture previously presented where the global crystal symmetry of the system plays the major role.

Topological Surface States in Dense Solid Hydrogen.

Metallization of dense hydrogen and associated possible high-temperature superconductivity represents one of the key problems of physics. Recent theoretical studies indicate that before becoming a good metal, compressed solid hydrogen passes through a semimetallic stage. We show that such semimetallic phases predicted to be the most stable at multimegabar (∼300 GPa) pressures are not conventional semimetals: they exhibit topological metallic surface states inside the bulk "direct" gap in the two-dimensional surface Brillouin zone; that is, metallic surfaces may appear even when the bulk of the material remains insulating. Examples include hydrogen in the Cmca-12 and Cmca-4 structures; Pbcn hydrogen also has metallic surface states but they are of a nontopological nature. The results provide predictions for future measurements, including probes of possible surface superconductivity in dense hydrogen.

Dense Hydrocarbon Structures at Megabar Pressures.

The structure, bonding, and other properties of phases in the carbon-hydrogen system over a range of conditions are of considerable importance to a broad range of scientific problems. However, the phase diagram of the C-H system at high pressures and temperatures is still not known. To search for new low-energy hydrocarbon structures, we carried out systematic structure prediction calculations for the C-H system from 100 to 300 GPa. We confirmed several previously predicted structures but found additional compositions that adopt more stable structures. In particular, a C2H4 structure is found that has an indirect band gap, and phonon calculations confirm that it is dynamically stable over a broad pressure range. We also identify more carbon-rich structures that are energetically favorable. The results are important for understanding carbon-hydrogen interactions in high-pressure experiments, dense astrophysical environments and the deep carbon cycle in planetary interiors.

Decreased otolith-mediated vestibular response in 25 astronauts induced by long-duration spaceflight.

The information coming from the vestibular otolith organs is important for the brain when reflexively making appropriate visual and spinal corrections to maintain balance. Symptoms related to failed balance control and navigation are commonly observed in astronauts returning from space. To investigate the effect of microgravity exposure on the otoliths, we studied the otolith-mediated responses elicited by centrifugation in a group of 25 astronauts before and after 6 mo of spaceflight. Ocular counterrolling (OCR) is an otolith-driven reflex that is sensitive to head tilt with regard to gravity and tilts of the gravito-inertial acceleration vector during centrifugation. When comparing pre- and postflight OCR, we found a statistically significant decrease of the OCR response upon return. Nine days after return, the OCR was back at preflight level, indicating a full recovery. Our large study sample allows for more general physiological conclusions about the effect of prolonged microgravity on the otolith system. A deconditioned otolith system is thought to be the cause of several of the negative effects seen in returning astronauts, such as spatial disorientation and orthostatic intolerance. This knowledge should be taken into account for future long-term space missions.

Chemical bonding in hydrogen and lithium under pressure.

Though hydrogen and lithium have been assigned a common column of the periodic table, their crystalline states under common conditions are drastically different: the former at temperatures where it is crystalline is a molecular insulator, whereas the latter is a metal that takes on simple structures. On compression, however, the two come to share some structural and other similarities associated with the insulator-to-metal and metal-to-insulator transitions, respectively. To gain a deeper understanding of differences and parallels in the behaviors of compressed hydrogen and lithium, we performed an ab initio comparative study of these systems in selected identical structures. Both elements undergo a continuous pressure-induced s-p electronic transition, though this is at a much earlier stage of development for H. The valence charge density accumulates in interstitial regions in Li but not in H in structures examined over the same range of compression. Moreover, the valence charge density distributions or electron localization functions for the same arrangement of atoms mirror each other as one proceeds from one element to the other. Application of the virial theorem shows that the kinetic and potential energies jump across the first-order phase transitions in H and Li are opposite in sign because of non-local effects in the Li pseudopotential. Finally, the common tendency of compressed H and Li to adopt three-fold coordinated structures as found is explained by the fact that such structures are capable of yielding a profound pseudogap in the electronic densities of states at the Fermi level, thereby reducing the kinetic energy. These results have implications for the phase diagrams of these elements and also for the search for new structures with novel properties.

Origin of Transitions between Metallic and Insulating States in Simple Metals.

Unifying principles that underlie recently discovered transitions between metallic and insulating states in elemental solids under pressure are developed. Using group theory arguments and first-principles calculations, we show that the electronic properties of the phases involved in these transitions are controlled by symmetry principles. The valence bands in these systems are described by simple and composite band representations constructed from localized Wannier functions centered on points unoccupied by atoms, and which are not necessarily all symmetrical. The character of the Wannier functions is closely related to the degree of s-p(-d) hybridization and reflects multicenter chemical bonding in these insulating states. The conditions under which an insulating state is allowed for structures having an integer number of atoms per primitive unit cell as well as reentrant (i.e., metal-insulator-metal) transition sequences are detailed, resulting in predictions of behavior such as phases having band-contact lines. The general principles developed are tested and applied to the alkali and alkaline earth metals, including elements where high-pressure insulating phases have been reported (e.g., Li, Na, and Ca).

Aromaticity, closed-shell effects, and metallization of hydrogen.

CONSPECTUS: Recent theoretical and experimental studies reveal that compressed molecular hydrogen at 200-350 GPa transforms to layered structures consisting of distorted graphene sheets. The discovery of chemical bonding motifs in these phases that are far from close-packed contrasts with the long-held view that hydrogen should form simple, symmetric, ambient alkali-metal-like structures at these pressures. Chemical bonding considerations indicate that the realization of such unexpected structures can be explained by consideration of simple low-dimensional model systems based on H6 rings and graphene-like monolayers. Both molecular quantum chemistry and solid-state physics approaches show that these model systems exhibit a special stability, associated with the completely filled set of bonding orbitals or valence bands. This closed-shell effect persists in the experimentally observed layered structures where it prevents the energy gap from closing, thus delaying the pressure-induced metallization. Metallization occurs upon further compression by destroying the closed shell electronic structure, which is mainly determined by the 1s electrons via lowering of the bonding bands stemming from the unoccupied atomic 2s and 2p orbitals. Because enhanced diamagnetic susceptibility is a fingerprint of aromaticity, magnetic measurements provide a potentially important tool for further characterization of compressed hydrogen. The results indicate that the properties of dense hydrogen are controlled by chemical bonding forces over a much broader range of conditions than previously considered.

Electronic excitations and metallization of dense solid hydrogen.

Theoretical calculations and an assessment of recent experimental results for dense solid hydrogen lead to a unique scenario for the metallization of hydrogen under pressure. The existence of layered structures based on graphene sheets gives rise to an electronic structure related to unique features found in graphene that are well studied in the carbon phase. The honeycombed layered structure for hydrogen at high density, first predicted in molecular calculations, produces a complex optical response. The metallization of hydrogen is very different from that originally proposed via a phase transition to a close-packed monoatomic structure, and different from simple metallization recently used to interpret recent experimental data. These different mechanisms for metallization have very different experimental signatures. We show that the shift of the main visible absorption edge does not constrain the point of band gap closure, in contrast with recent claims. This conclusion is confirmed by measured optical spectra, including spectra obtained to low photon energies in the infrared region for phases III and IV of hydrogen.

Collective dipole behavior and unusual morphotropic phase boundary in ferroelectric Pb(Zr(0.5)Ti(0.5))O3 nanowires.

Dipole collective behavior and phase transition in ferroelectric (FE) Pb(Zr(0.5)Ti(0.5))O(3) nanowires, caused by modulated electric fields, are reported. Our result also leads to the finding of a rather outstanding electromechanical d(31) response in a 8.4 nm diameter PZT wire, which may potentially outperform bulk PMN-PT and PZN-PT. Moreover, we further demonstrate the existence of a new type of morphotropic phase boundary (MPB) that bridges two dissimilar structure phases of different order parameters. Microscopic insights for understanding the collective behavior and the structural phase within the new MPB are provided.

Gaze control and vestibular-cervical-ocular responses after prolonged exposure to microgravity.

BACKGROUND: Microgravity does not affect visual function directly. However, because of the altered afferentation from vestibular, support, and tactile-proprioceptive systems, it could lead to disturbances in visual tracking and inhibit the cosmonaut's activity. Therefore, it is necessary to obtain quantitative evaluations of spaceflight effects upon gaze control and vestibular-cervical-ocular responses. METHODS: Examination of visual tracking with the head in a fixed position was performed in 26 Russian ISS cosmonauts before and after a prolonged spaceflight (129-215 d). As vestibular tests, we used several roll-tilts and yaw head rotations. Eye movements were recorded using both video-oculographic and electro-oculographic methods. RESULTS: It was shown that until 9 d after landing (R+9) spontaneous eye movements were increased (spontaneous nystagmus, gaze nystagmus, square wave jerks); otolith function was suppressed (inversion, absence, or significant decrease of the compensatory torsional ocular counter-rolling); vestibular reactivity was elevated (an increased intensity of the vestibular nystagmus during head yaw rotations); amplitude and velocity characteristics of gaze control (saccades, smooth pursuit, gaze holding) were significantly decreased; total reaction time was significantly increased up to 2-3 times; and gaze holding ability was degraded. For several cosmonauts, smooth pursuit was collapsed and their gaze approached the stimulus or pursued its motion utilizing a sequence of saccades at least until R+5. DISCUSSION: Prolonged exposure to microgravity considerably affects all forms of visual tracking. Revealed disturbances in precision of visual tracking and adoption of the new tracking strategy substantially prolong (up to 2-3 times) the period required to acquire, recognize, and to fixate gaze on the target.

Hot-spot engineering in polygonal nanofinger assemblies for surface enhanced Raman spectroscopy.

Multiparticle assemblies of nanoscale structures are the fundamental building blocks for powerful plasmonic devices. Here we show the controlled formation of polygonal metal nanostructure assemblies, including digon, trigon, tetragon, pentagon, and hexagon arrays, which were formed on top of predefined flexible polymer pillars that undergo self-coalescence, analogous to finger closing, with the aid of microcapillary forces. This hybrid approach of combining top-down fabrication with self-assembly enables the formation of complex nanoplasmonic structures with sub-nanometer gaps between gold nanoparticles. On comparison of the polygon-shaped assemblies, the symmetry dependence of the nanoplasmonic structures was determined for application to surface enhanced Raman spectroscopy (SERS), with the pentagonal assembly having the largest Raman enhancement for the tested molecules. Electromagnetic simulations of the polygonal structures were performed to visualize the field enhancements of the hot spots so as to guide the rational design of optimal SERS structures.

Gold nanofingers for molecule trapping and detection.

Here we demonstrate a molecular trap structure that can be formed to capture analyte molecules in solution for detection and identification. The structure is based on gold-coated nanoscale polymer fingers made by nanoimprinting technique. The nanofingers are flexible and their tips can be brought together to trap molecules, while at the same time the gold-coated fingertips form a reliable Raman hot spot for molecule detection and identification based on surface enhanced Raman spectroscopy (SERS). The molecule self-limiting gap size control between fingertips ensures ultimate SERS enhancement for sensitive molecule detection. Furthermore, these type of structures, resulting from top-down meeting self-assembly, can be generalized for other applications, such as plasmonics, meta-materials, and other nanophotonic systems.

Goldstone-like states in a layered perovskite with frustrated polarization: a first-principles investigation of PbSr2Ti2O7.

With the help of first-principles-based computational techniques, we demonstrate that Goldstone-like states can be artificially induced in a layered-perovskite ferroelectric compound with frustrated polarization, resulting in the emergence of a variety of interesting physical properties that include large, tunable dielectric constants and an ability to easily form vortex polar states in a nanodot geometry. In a similar fashion to the well-known perovskite materials with morphotropic phase boundaries (MPBs), these states manifest themselves as polarization rotations with almost no energy penalty, suggesting that the existence of an MPB is actually yet another manifestation of the Goldstone theorem in solids.

Unusual flexoelectric effect in two-dimensional noncentrosymmetric sp2-bonded crystals.

We find, with the use of the first-principles calculations, that the single-atom-thick sp2-bonded noncentrosymmetric crystals like boron-nitride (BN) sheet exhibit an unusual nonlinear electromechanical effect: they become strongly macroscopically polarized in a corrugated state (or it induces significant changes in an initially polarized state of a sheet like BC2N). The direction of the induced polarization is in a plane of the film and depends nonanalytically on the corrugation wave vector k. The magnitude of the polarization can reach very large values in spite of its quadratic dependence on atomic displacements due to BN sheets being able to tolerate very large mechanical strains, similar to carbon nanotubes, and this makes this general behavior of noncentrosymmetric bodies perturbed out of equilibrium quite unique. The effect may find various applications, in particular, in a new type of nanogenerators.

Cooperative response of Pb(ZrTi)O3 nanoparticles to curled electric fields.

We investigate cooperative responses, as well as a microscopic mechanism for vortex switching, in Pb(Zr0.5Ti0.5)O3 nanoparticles under curled electric fields. We find that the domain coexistence mechanism is not valid for toroid switching. Instead dipoles display unusual collective behavior by forming a new vortex with a perpendicular (not opposite) toroid moment. The correlation between the new and original vortices is revealed to be critical for reversing the toroid moment. We further describe a technological approach that is able to drastically reduce the curled electric field needed for vortex switching.