Electronic Structure of Above-Room-Temperature van der Waals Ferromagnet Fe3GaTe2.

Fe3GaTe2, a recently discovered van der Waals ferromagnet, demonstrates intrinsic ferromagnetism above room temperature, necessitating a comprehensive investigation of the microscopic origins of its high Curie temperature (TC). In this study, we reveal the electronic structure of Fe3GaTe2 in its ferromagnetic ground state using angle-resolved photoemission spectroscopy and density functional theory calculations. Our results establish a consistent correspondence between the measured band structure and theoretical calculations, underscoring the significant contributions of the Heisenberg exchange interaction (Jex) and magnetic anisotropy energy to the development of the high-TC ferromagnetic ordering in Fe3GaTe2. Intriguingly, we observe substantial modifications to these crucial driving factors through doping, which we attribute to alterations in multiple spin-splitting bands near the Fermi level. These findings provide valuable insights into the underlying electronic structure and its correlation with the emergence of high-TC ferromagnetic ordering in Fe3GaTe2.

An Ultralow Power Mixed Dimensional Heterojunction Transistor Based on the Charge Plasma pn Junction.

Development of a reliable doping method for 2D materials is a key issue to adopt the materials in the future microelectronic circuits and to replace the silicon, keeping the Moore's law toward the sub-10 nm channel length. Especially hole doping is highly required, because most of the transition metal dichalcogenides (TMDC) among the 2D materials are electron-doped by sulfur vacancies in their atomic structures. Here, hole doping of a TMDC, tungsten disulfide (WS2 ) using the silicon substrate as the dopant medium is demonstrated. An ultralow-power current sourcing transistor or a gated WS2 pn diode is fabricated based on a charge plasma pn heterojunction formed between the WS2 thin-film and heavily doped bulk silicon. An ultralow switchable output current down to 0.01 nA µm-1 , an off-state current of ≈1 × 10-14 A µm-1 , a static power consumption range of 1 fW µm-1 -1 pW µm-1 , and an output current ratio of 103 at 0.1 V supply voltage are achieved. The charge plasma heterojunction allows a stable (less than 3% variation) output current regardless of the gate voltage once it is turned on.

Ultranarrow TaS2 Nanoribbons.

Imposing additional confinement in two-dimensional (2D) materials yields further control over their electronic, optical, and topological properties. However, synthesis of ultranarrow nanoribbons (NRs) remains challenging, particularly for transition metal dichalcogenides (TMDs), and synthesizing TMD NRs narrower than 50 nm has remained elusive. Here, we report the vapor-phase synthesis of ultranarrow TaS2 NRs. The NRs are grown within carbon nanotubes, limiting their width and layer number, while stabilizing them against the environment. The NRs reach monolayer thickness and exhibit widths down to 2.5 nm. Atomic-resolution scanning transmission electron microscopy reveals the detailed atomic structure of the ultranarrow NRs and we observe a hitherto unseen atomic structure supermodulation of ordered defect arrays within the NRs. Density functional theory calculations show the presence of flat bands and boundary-localized states, and help identify the atomic configuration of the supermodulation. Nanotube-templated synthesis represents a unique, transferable, and broadly deployable route toward ultranarrow TMD NR growth.

Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation.

The structure of MX3 transition metal trichalcogenides (TMTs, with M a transition metal and X a chalcogen) is typified by one-dimensional (1D) chains weakly bound together via van der Waals interactions. This structural motif is common across a range of M and X atoms (e.g., NbSe3, HfTe3,TaS3), but not all M and X combinations are stable. We report here that three new members of the MX3 family which are not stable in bulk, specifically NbTe3, VTe3, and TiTe3, can be synthesized in the few- (2-4) to single-chain limit via nanoconfined growth within the stabilizing cavity of multiwalled carbon nanotubes. Transmission electron microscopy (TEM) and atomic-resolution scanning transmission electron microscopy (STEM) reveal the chain-like nature and the detailed atomic structure. The synthesized materials exhibit behavior unique to few-chain quasi-1D structures, such as few-chain spiraling and a trigonal antiprismatic rocking distortion in the single-chain limit. Density functional theory (DFT) calculations provide insight into the crystal structure and stability of the materials, as well as their electronic structure.

Emergence of Topologically Nontrivial Spin-Polarized States in a Segmented Linear Chain.

The synthesis of new materials with novel or useful properties is one of the most important drivers in the fields of condensed matter physics and materials science. Discoveries of this kind are especially significant when they point to promising future basic research and applications. van der Waals bonded materials comprised of lower-dimensional building blocks have been shown to exhibit emergent properties when isolated in an atomically thin form [1-8]. Here, we report the discovery of a transition metal chalcogenide in a heretofore unknown segmented linear chain form, where basic building blocks each consisting of two hafnium atoms and nine tellurium atoms (Hf_{2}Te_{9}) are van der Waals bonded end to end. First-principle calculations based on density functional theory reveal striking crystal-symmetry-related features in the electronic structure of the segmented chain, including giant spin splitting and nontrivial topological phases of selected energy band states. Atomic-resolution scanning transmission electron microscopy reveals single segmented Hf_{2}Te_{9} chains isolated within the hollow cores of carbon nanotubes, with a structure consistent with theoretical predictions. van der Waals bonded segmented linear chain transition metal chalcogenide materials could open up new opportunities in low-dimensional, gate-tunable, magnetic, and topological crystalline systems.

Impact of H-Doping on n-Type TMD Channels for Low-Temperature Band-Like Transport.

Band-like transport behavior of H-doped transition metal dichalcogenide (TMD) channels in field effect transistors (FET) is studied by conducting low-temperature electrical measurements, where MoTe2 , WSe2 , and MoS2 are chosen for channels. Doped with H atoms through atomic layer deposition, those channels show strong n-type conduction and their mobility increases without losing on-state current as the measurement temperature decreases. In contrast, the mobility of unintentionally (naturally) doped TMD FETs always drops at low temperatures whether they are p- or n-type. Density functional theory calculations show that H-doped MoTe2 , WSe2 , and MoS2 have Fermi levels above conduction band edge. It is thus concluded that the charge transport behavior in H-doped TMD channels is metallic showing band-like transport rather than thermal hopping. These results indicate that H-doped TMD FETs are practically useful even at low-temperature ranges.

Surface triggered stabilization of metastable charge-ordered phase in SrTiO3.

Charge ordering (CO), characterized by a periodic modulation of electron density and lattice distortion, has been a fundamental topic in condensed matter physics, serving as a potential platform for inducing novel functional properties. The charge-ordered phase is known to occur in a doped system with high d-electron occupancy, rather than low occupancy. Here, we report the realization of the charge-ordered phase in electron-doped (100) SrTiO3 epitaxial thin films that have the lowest d-electron occupancy i.e., d1-d0. Theoretical calculation predicts the presence of a metastable CO state in the bulk state of electron-doped SrTiO3. Atomic scale analysis reveals that (100) surface distortion favors electron-lattice coupling for the charge-ordered state, and triggering the stabilization of the CO phase from a correlated metal state. This stabilization extends up to six unit cells from the top surface to the interior. Our approach offers an insight into the means of stabilizing a new phase of matter, extending CO phase to the lowest electron occupancy and encompassing a wide range of 3d transition metal oxides.

High temperature superconductivity in the candidate phases of solid hydrogen.

As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen is expected to become metallic with a high superconducting transition temperature. The metallization may occur via band gap closure in the molecular solid or via a transition to the atomic solid. Recently, a few experimental studies pushed the achievable pressures into the 400-500 GPa range. There are strong indications that at some pressure in this range metallization via either of these mechanisms occurs, although there are disagreements between experimental reports. Furthermore, there are multiple good candidate crystal phases that have emerged from recent computational and experimental studies which may be realized in upcoming experiments. Therefore, it is crucial to determine the superconducting properties of these candidate phases. In a recent study, we reported the superconducting properties of theC2/c-24 phase, which we believe to be a strong candidate for metallization via band gap closure (Doganet al2022Phys. Rev. B105L020509). Here, we report the superconducting properties of theCmca-12,Cmca-4 andI41/amd-2 phases including the anharmonic effects using a Wannier function-based densek-point andq-point sampling. We find that theCmca-12 phase has a superconducting transition temperature that rises from 86 K at 400 GPa to 212 K at 500 GPa, whereas theCmca-4 andI41/amd-2 phases show a less pressure-dependent behavior with theirTcin the 74-94 K and 307-343 K ranges, respectively. These properties can be used to distinguish between crystal phases in future experiments. Understanding superconductivity in pure hydrogen is also important in the study of high-Tchydrides.

Observed metallization of hydrogen interpreted as a band structure effect.

A recent experimental study of the metallization of hydrogen tracked the direct band gap and vibron frequency via infrared measurements up to ∼425 GPa (Loubeyreet al(2020Nature577631). Above this pressure, the direct gap has a discontinuous drop to below the minimum experimentally accessible energy (∼0.1 eV). The authors suggested that this observation is caused by a structural phase transition between theC2/c-24 molecular phase to another molecular phase such asCmca-12. Here, throughab initiocalculations of pressure dependent vibron frequency and direct band gap, we find that the experimental data is consistent with theC2/c-24 phase up to 425 GPa, and suggest that this consistency extends beyond that pressure. Specifically, we find that qualitative changes in the band structure of theC2/c-24 phase lead to a discontinuous drop of the direct band gap, which can explain the observed drop without a structural transition. This alternative scenario, which naturally explains the absence of hysteresis in the measurements, will hopefully motivate further experimental studies to ascertain the structure of the phase above the high pressure 'phase transition'.

Development, Analysis, and Control of Series Elastic Actuator-Driven Robot Leg.

The mass-spring system-like behavior is a powerful analysis tool to simplify human running/locomotion and is also known as the Spring Loaded Inverted Pendulum (SLIP) model. Beyond being just an analysis tool, the SLIP model is utilized as a template for implementing human-like locomotion by using the articulated robot. Since the dynamics of the articulated robot exhibits complicated behavior when projected into the operational space of the SLIP template, various considerations are required, from the robot's mechanical design to its control and analysis. Hence, the required technologies are the realization of pure mass-spring behavior during the interaction with the ground and the robust position control capability in the operational space of the robot. This paper develops a robot leg driven by the Series Elastic Actuator (SEA), which is a suitable actuator system for interacting with the environment, such as the ground. A robust hybrid control method is developed for the SEA-driven robot leg to achieve the required technologies. Furthermore, the developed robot leg has biarticular coordination, which is a human-inspired design that can effectively transmit the actuator torque to the operational space. This paper also employs Rotating Workspace (RW), which specializes in the control of the biarticulated robots. Various experiments are conducted to verify the performance of the developed robot leg with the control methodology.

Simulating the Nanomechanical Response of Cyclooctatetraene Molecules on a Graphene Device.

We investigate the atomic and electronic structures of cyclooctatetraene (COT) molecules on graphene and analyze their dependence on external gate voltage using first-principles calculations. The external gate voltage is simulated by adding or removing electrons using density functional theory calculations. This allows us to investigate how changes in carrier density modify the molecular shape, orientation, adsorption site, diffusion barrier, and diffusion path. For increased hole doping, COT molecules gradually change their shape to a more flattened conformation and the distance between the molecules and graphene increases while the diffusion barrier drastically decreases. For increased electron doping, an abrupt transition to a planar conformation at a carrier density of -8 × 1013 e/cm2 is observed. These calculations imply that the shape and mobility of adsorbed COT molecules can be controlled by externally gating graphene devices.

Short-term Effects of Robot-Resistance Exercises on Muscle Strength and Activations: Types of Muscle Contraction and Speed of Contraction.

We developed the isokinetic exercise robot for single joint muscle training. The purpose of this study was to investigate the effects of contraction types (concentric vs. eccentric contractions) and contractile speeds (slow vs. fast contractions) controlled by the developed exercise robot on muscle strength and activations. Ten subjects voluntarily performed the biceps curls exercise by resisting the robot-driven loads. Results indicated that there was no significant change in muscular strength as a result of different type of contraction and contractile velocity. The effect of fatigue, however, might be detected due to decreased maximum moment and increased muscle activities. Further research on the optimal recovery time is needed in order to enhance utilization of exercise robot in fitness areas.

Verification of Computed Muscle Control and Static Optimization for Isokinetic, Isometric and Isotonic Exercise of Upper Limb.

To measure muscle activity during motion is a significant topic in biomechanics. Even though EMG (electromyography) is utilized for this, musculoskeletal simulations are potential alternatives. In this paper, the accuracy of muscle activity calculation of two different algorithms are verified by comparing with EMG during three types of muscle contractions (isokinetic, isotonic and isometric).

Publisher Correction: Orbital angular momentum analysis for giant spin splitting in solids and nanostructures.

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Torsional instability in the single-chain limit of a transition metal trichalcogenide.

The scientific bounty resulting from the successful isolation of few to single layers of two-dimensional materials suggests that related new physics resides in the few- to single-chain limit of one-dimensional materials. We report the synthesis of the quasi-one-dimensional transition metal trichalcogenide NbSe3 (niobium triselenide) in the few-chain limit, including the realization of isolated single chains. The chains are encapsulated in protective boron nitride or carbon nanotube sheaths to prevent oxidation and to facilitate characterization. Transmission electron microscopy reveals static and dynamic structural torsional waves not found in bulk NbSe3 crystals. Electronic structure calculations indicate that charge transfer drives the torsional wave instability. Very little covalent bonding is found between the chains and the nanotube sheath, leading to relatively unhindered longitudinal and torsional dynamics for the encapsulated chains.

Interband Transitions in Monolayer and Few-Layer WSe2 Probed Using Photoexcited Charge Collection Spectroscopy.

Transition-metal dichalcogenides are currently under rigorous investigation because of their distinct layer-dependent physical properties originating from the corresponding evolution of the band structure. Here, we report the highly resolved probing of layer-dependent band structure evolution for WSe2 using photoexcited charge collection spectroscopy (PECCS). Monolayer, few-layer, and multilayer WSe2 can be probed in top-gate field-effect transistor platforms, and their interband transitions are efficiently observed. Our theoretical calculations show a great coincidence with the PECCS results, proving that the indirect Γ-K and Γ-Λ transitions as well as the direct K-K transition are clearly resolved in multilayer WSe2 by PECCS.

Orbital angular momentum analysis for giant spin splitting in solids and nanostructures.

Giant spin splitting (GSS) of electronic bands, which is several orders of magnitude greater than the standard Rashba effect has been observed in various systems including noble-metal surfaces and thin films of transition-metal dichalcogenides. Previous studies reported that orbital angular momentum (OAM) is not quenched in some GSS materials and that the atomic spin-orbit interaction (SOI) generates spin splitting in some solid states via the interorbital hopping. Although the unquenched OAM may be closely related to the interorbital hopping, their relationship is hardly studied in the aspect of using the unquenched OAM as a control parameter of GSS. Here, we analyze OAM in GSS materials by using the interorbital-hopping mechanism and first-principles calculations. We report that the interatomic hopping between different-parity orbitals, which is generated by specific broken mirror symmetry, produces k-dependent OAM, resulting in valley-dependent GSS in WSe2 monolayer, Rashba-type GSS in Au (111) surface, and Dresselhaus-type GSS in bulk HgTe. We also demonstrate systematic control of OAM by pressure, external fields, and substrates, thereby controlling the spin splitting, and discuss the temperature dependence of OAM. Our results provide a simplified picture for systematic design and control of GSS materials.

Homogeneous 2D MoTe2 p-n Junctions and CMOS Inverters formed by Atomic-Layer-Deposition-Induced Doping.

Recently, α-MoTe2 , a 2D transition-metal dichalcogenide (TMD), has shown outstanding properties, aiming at future electronic devices. Such TMD structures without surface dangling bonds make the 2D α-MoTe2 a more favorable candidate than conventional 3D Si on the scale of a few nanometers. The bandgap of thin α-MoTe2 appears close to that of Si and is quite smaller than those of other typical TMD semiconductors. Even though there have been a few attempts to control the charge-carrier polarity of MoTe2 , functional devices such as p-n junction or complementary metal-oxide-semiconductor (CMOS) inverters have not been reported. Here, we demonstrate a 2D CMOS inverter and p-n junction diode in a single α-MoTe2 nanosheet by a straightforward selective doping technique. In a single α-MoTe2 flake, an initially p-doped channel is selectively converted to an n-doped region with high electron mobility of 18 cm2 V-1 s-1 by atomic-layer-deposition-induced H-doping. The ultrathin CMOS inverter exhibits a high DC voltage gain of 29, an AC gain of 18 at 1 kHz, and a low static power consumption of a few nanowatts. The results show a great potential of α-MoTe2 for future electronic devices based on 2D semiconducting materials.

Fabrication of vertically well-aligned P(VDF-TrFE) nanorod arrays.

By combining the merits of traditional template-assisted methods for polymer nanostructure fabrication, we demonstrate an immersion crystallization process that combines features of polymer crystallization and template removal simultaneously. Well-aligned poly(vinylidene fluoride-trifluoroethylene) copolymer nanorod arrays are prepared for the first time via this simple and convenient new method.