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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Chemical control of the Rashba spin splitting size of α-GeTe(111) surface states by adjusting the potential at the topmost atomic layer

As control of the Rashba spin splitting size is highly desirable for spintronic devices, intensive studies have been performed to vary the splitting size by, for example, applying an electric field or designing novel heterostructures. However, direct observation of Rashba spin splitting size change via spectroscopic measurements has not been done so far. Here, we report results of angle-resolved photoemission studies on ferroelectric α-GeTe(111). We observe that the Rashba splitting size of α-GeTe(111) surface states is reduced upon dosing with potassium (K) which has a very low electron affinity. Based on density functional theory calculations, we find that the electric potential energy at the topmost atomic layer and the surface potential energy barrier is reduced upon K dosing. Furthermore, this change in the surface potential induces both delocalization of the surface states and reduction of the splitting size. We expect to increase the splitting size by dosing other elements or molecules with high electron affinity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Topological Fermi-arc surface state covered by floating electrons on a two-dimensional electride

Two-dimensional electrides can acquire topologically non-trivial phases due to intriguing interplay between the cationic atomic layers and anionic electron layers. However, experimental evidence of topological surface states has yet to be verified. Here, via angle-resolved photoemission spectroscopy (ARPES) and scanning tunnelling microscopy (STM), we probe the magnetic Weyl states of the ferromagnetic electride [Gd 2 C] 2+ ·2e - . In particular, the presence of Weyl cones and Fermi-arc states is demonstrated through photon energy-dependent ARPES measurements, agreeing with theoretical band structure calculations. Notably, the STM measurements reveal that the Fermi-arc states exist underneath a floating quantum electron liquid on the top Gd layer, forming double-stacked surface states in a heterostructure. Our work thus not only unveils the non-trivial topology of the [Gd 2 C] 2+ ·2e - electride but also realizes a surface heterostructure that can host phenomena distinct from the bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Observation of topological surface states in the high-temperature superconductor MgB 2

Most topological superconductors known to date suffer from low transition temperatures ($T_c$) and/or high fragility to disorder and dopant levels, which is hampering the progress in this promising field. Here, utilizing a combination of angle-resolved photoemission spectroscopy measurements and density-functional theory calculations, we show the presence of a type of topological Dirac nodal line surface state on the [010] faces of the $T_c$ = 39 K BCS superconductor MgB 2 . This surface state should be highly tolerant against disorder and inadvertent doping variations and is expected to go superconducting via the proximity effect to the bulk superconductor that this state is intimately connected to. We report this would represent a form of high-temperature topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Fermi-crossing Type-II Dirac fermions and topological surface states in NiTe 2

Transition-metal dichalcogenides (TMDs) offer an ideal platform to experimentally realize Dirac fermions. However, typically these exotic quasiparticles are located far away from the Fermi level, limiting the contribution of Dirac-like carriers to the transport properties. Here we show that NiTe 2 hosts both bulk Type-II Dirac points and topological surface states. The underlying mechanism is shared with other TMDs and based on the generic topological character of the Te p-orbital manifold. However, unique to NiTe 2 , a significant contribution of Ni d orbital states shifts the energy of the Type-II Dirac point close to the Fermi level. In addition, one of the topological surface states intersects the Fermi energy and exhibits a remarkably large spin splitting of 120 meV. Our results establish NiTe 2 as an exciting candidate for next-generation spintronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Signatures of possible surface states in TaAs

In this work, we study Shubnikov-de Haas oscillations in single crystals of TaAs and find a previously undetected two-dimensional quantum oscillation that does not belong to the bulk Fermi surface. We cannot find an impurity phase consistent with our observations, and extensive diffraction measurements have not shown the presence of known impurity phases. We conjecture that the frequency originates from surface states that are sensitive to surface disorder. One candidate is the interference of coherent quasiparticles traversing two distinct Fermi arcs on the [001] crystallographic surface. The frequency and effective mass quantitatively agree with predictions of density functional theory and previous angle-resolved photoemission spectroscopy measurements of the Fermi arcs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topological surface states in strained Dirac semimetal thin films

We computationally study the Fermi arc states in a Dirac semimetal, both in a semi-infinite slab and in the thin-film limit. We use Cd 3 As 2 as a model system, and include perturbations that break the C-4 symmetry and inversion symmetry while mirror symmetries remain. The surface states are protected by the mirror symmetries present in the bulk states and thus survive these perturbations. Additionally, the Fermi arc states persist down to very thin films, thinner than presently measured experimentally, but are affected by breaking the symmetry of the Hamiltonian. Recent experimental observations of transport in Cd 3 As 2 films strongly suggest transport by surface states. Our findings are consistent with those observations in that we show that Fermi arc states can survive to rather thin films, and our results also suggest that symmetry-breaking terms that preserve the Fermi arc states nevertheless can have a profound effect in the thin film limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Photogalvanic Effects in Surface States of Topological Insulators under Perpendicular Magnetic Fields

We present a theoretical study of the nonlinear magneto-optical shift conductivity in the surface states of the prototypical topological insulator Bi$_2$Se$_3$ under a perpendicular quantizing magnetic field. By describing the electronic states as Landau levels and using a perturbative approach, we derive the microscopic expression for the shift conductivity $\sigma^{(2);\alpha\beta\gamma}(-\omega,\omega)$, where $\alpha,\beta,\gamma=\pm$ stand for the circular polarization of light and $\omega$ is the light frequency; the spectra are further decomposed into contributions from the interband and intraband optical transitions, for which the selection rules are identified. Considering that the system possesses $C_3$ point group of symmetry, the nonzero components of the conductivity tensor are $\sigma^{(2);-++}=[\sigma^{(2);+--}]^\ast$. Therefore, a pure circularly polarized light generates zero shift current. In the clean limit, the conductivities are nonzero only for discrete photon energies because of the discrete Landau levels and energy conservation, and they become Lorentzian lineshapes with the inclusion of damping, which relaxes the condition of energy conservation. The dependence of the spectra on the damping parameters, the magnetic fields, and the chemical potentials is investigated in detail. Our results reveal that the shift current is highly tunable by the chemical potential and the magnetic field. Furthermore, these results underscore the potential of topological insulators for tunable, strong nonlinear magneto-optical applications.

Landau level↗
DOE OSTI2019

Discovery of topological Weyl fermion lines and drumhead surface states in a room temperature magnet

Topological matter is known to exhibit unconventional surface states and anomalous transport owing to unusual bulk electronic topology. In this study, we use photoemission spectroscopy and quantum transport to elucidate the topology of the room temperature magnet Co 2 MnGa. We observe sharp bulk Weyl fermion line dispersions indicative of nontrivial topological invariants present in the magnetic phase. On the surface of the magnet, we observe electronic wave functions that take the form of drumheads, enabling us to directly visualize the crucial components of the bulk-boundary topological correspondence. By considering the Berry curvature field associated with the observed topological Weyl fermion lines, we quantitatively account for the giant anomalous Hall response observed in this magnet. Our experimental results suggest a rich interplay of strongly interacting electrons and topology in quantum matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Strongly Surface State Carrier‐Dependent Spin–Orbit Torque in Magnetic Topological Insulators

Abstract The topological surface states (TSS) in topological insulators (TIs) can exert strong spin–orbit torque (SOT) on adjacent magnetization, offering great potential in implementing energy‐efficient magnetic memory devices. However, there are large discrepancies among the reported spin Hall angle values in TIs, and its temperature dependence still remains elusive. Here, the spin Hall angle in a modulation‐doped Cr‐Bi x Sb 2− x Te 3 (Cr‐BST) film is quantitatively determined via both transport and optic approaches, where consistent results are obtained. A large spin Hall angle of ≈90 in the modulation‐doped Cr‐BST film is demonstrated at 2.5 K, and the spin Hall angle drastically decreases to 0.3–0.5 as the temperature increases. Moreover, by tuning the top TSS carrier concentration, a competition between the top and bottom TSS in contributing to SOT is observed. The above phenomena can account for the large discrepancies among the previously reported spin Hall angle values and reveal the unique role of TSS in generating SOT.

Che, Xiaoyu↗
DOE OSTI2024

Holographic entanglement distillation from the surface state correspondence

We study correlations between geometric subfactors living on the Ryu-Takayanagi surface that bounds the entanglement wedge. Using the surface-state correspondence and the bit threads program, we are able to calculate mutual information and conditional mutual information between subfactors. This enables us to count the shared Bell pairs between subfactors, and we propose an entanglement distillation procedure over these subsystems via a SWAP gate protocol. We comment on extending to multipartite entanglement.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Surface-state limbo

The combination of magnetic and non-magnetic layers in (MnBi 2 Te 4 )(Bi 2 Te 3 ) is predicted to produce topologically protected states on the surface. We discuss experiments that now show that the nature of the topmost layer controls the location of these states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gas-phase microactuation using kinetically controlled surface states of ultrathin catalytic sheets

Biological systems convert chemical energy into mechanical work by using protein catalysts that assume kinetically controlled conformational states. Synthetic chemomechanical systems using chemical catalysis have been reported, but they are slow, require high temperatures to operate, or indirectly perform work by harnessing reaction products in liquids (e.g., heat or protons). Here, we introduce a bioinspired chemical strategy for gas-phase chemomechanical transduction that sequences the elementary steps of catalytic reactions on ultrathin (<10 nm) platinum sheets to generate surface stresses that directly drive microactuation (bending radii of 700 nm) at ambient conditions (T = 20 °C; P total = 1 atm). When fueled by hydrogen gas and either oxygen or ozone gas, we show how kinetically controlled surface states of the catalyst can be exploited to achieve fast actuation (600 ms/cycle) at 20 °C. Finally, we also show that the approach can integrate photochemically controlled reactions and can be used to drive the reconfiguration of microhinges and complex origami- and kirigami-based microstructures.

42 ENGINEERING↗
DOE OSTI2025

InAs sidewall tunnel diodes enabled by surface states

Negative differential resistance (NDR), where the device current decreases with increasing bias voltage, is a representative phenomenon where quantum mechanics induces counterintuitive physical behavior and offers promising applications such as high-frequency oscillators, amplifiers, and multilevel logic circuits. While the NDR behavior has been extensively studied in various materials and devices, the role of surface properties in NDR, particularly in InAs-based diodes, remains underexplored. In this work, we report the observation of NDR in vertically structured InAs p + n diodes that exhibit a peak-valley current ratio of ∼6, which is suitably high for applications. Circumference-normalized current–voltage characterization revealed that the NDR originates from band-to-band tunneling between the valence band of p + -InAs and the conduction band of an n + -InAs surface, where the n + surface is due to surface states on otherwise n − -InAs. In addition, by comparing devices with various surface passivation methods (without intentional passivation, benzocyclobutene polymer, and silicon nitride), we found that the surface termination significantly affects the NDR characteristics. We present an equivalent circuit model to explain the observed device behavior. These findings offer insights into surface-enabled NDR phenomena and present new knobs for engineering NDR devices.

Circuit theorems↗
DOE OSTI2020

Electron–Hole Asymmetry of Surface States in Topological Insulator Sb 2 Te 3 Thin Films Revealed by Magneto-Infrared Spectroscopy

When surface states (SSs) form in topological insulators (TIs), they inherit the properties of bulk bands, including the electron–hole (e–h) asymmetry but with much more profound impacts. Here via combining magneto-infrared spectroscopy with theoretical analysis, we show that e–h asymmetry significantly modifies the SS electronic structures when interplaying with the quantum confinement effect. Compared with the case without e–h asymmetry, the SSs now bear not only a band asymmetry, such as that in the bulk, but also a shift of the Dirac point relative to the bulk bands and a reduction of the hybridization gap of up to 70%. Here, our results signify the importance of e–h asymmetry in the band engineering of TIs in the thin-film limit.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites

Borides have been recently identified to be a class of earth-abundant and low-cost materials that are surprisingly active toward oxidative dehydrogenation and hydrogen evolution reaction (HER) catalysis. Here, we explain from first-principles calculations the HER activity of WB, an industrial material known for its superior physical properties and chemical inertness. We find that, compared to bulk termination, a major surface reconstruction takes place, leading to the off-stoichiometric B-rich surface termination that contains the active sites. The hydrogen adsorbate configurations are further investigated under various adsorbate coverages. Many competing configurations appear to be accessible in reaction conditions, and thus, a grand canonical ensemble is established to describe the catalytic system. A phase diagram of adsorbate coverages is constructed as a function of pH and the applied potential. A complex reaction network is presented based on the ensemble-averaged reaction rates, and the electrocatalytic activities are evaluated under different overpotentials. Here, the major contributors to the activity are found to be a few metastable surface states with a distinct electronic structure that are only accessible at high adsorbate coverages in reaction conditions. In addition, while the activity of the dominant active site is nearly the same as that on the unreconstructed WB, the B-rich formations play an important role of isolating the active sites and preventing the passivation of the surface with H 2 bubble formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dial It Down: The Effect of Strongly Interacting Adsorbates on the BiAg 2 Rashba Surface State

Organic semiconductors interfaced with spin–orbit coupled materials offer a rich playground for fundamental studies of controlling spin dynamics in spintronic devices. The adsorbate–surface interactions at such interfaces play a key role in determining the valence electronic and spin structure and consequently, the device physics as well. Here we show that strong adsorbate–surface alloy interaction leads to weakening of the electronic coupling between the surface alloy atoms and quenches the spin–orbit coupled surface state, demonstrated for the case of the strong organic electron acceptor 2,7-dinitropyrene-4,5,9,10-tetrone (NO 2 –PyT, C 16 H 4 N 2 O 8 ) on the Rashba spin–orbit coupled surface alloy BiAg 2 /Ag(111). Furthermore, our findings demonstrate an important challenge associated with using molecular adsorbates to tailor the spin texture in BiAg 2 /Ag(111), and our work provides guidelines to consider while designing interfacial systems to engineer the spin texture in Rashba surface alloys.

36 MATERIALS SCIENCE↗