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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Observation of a smoothly tunable Dirac point in Ge ( Bi x Sb 1 - x ) 2 Te 4

State-of-the-art topological devices require the use of topologically protected surface states to drive electronic transport. Here, we examine a tunable topological system, Ge(Bi x Sb 1-x ) 2 Te 4 , for a range of $\mathcal{x}$ values from 0 to 1, using a combination of Fourier transform scanning tunneling spectroscopy and angle-resolved photoemission spectroscopy. Our results show that the Dirac point shifts linearly with $\mathcal{x}$, crossing the Fermi energy near $\mathcal{x}$=0.7. This observation of a smoothly tunable, isolated Dirac point crossing through the topological transport regime and having strong linear dependence with substitution can be critical for future topological spintronics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Fermiology and transport properties of the candidate topological crystalline insulator SrAg 4 ⁢Sb 2

Compared to time-reversal symmetry-protected ℤ 2 topological insulators and Dirac/Weyl semimetals, there are significantly fewer candidates for topological crystalline insulators. SrAg 4 ⁢Sb 2 is predicted to exhibit topological crystalline insulator behavior when considering spin-orbit coupling. In this study, we systematically investigate single crystals of SrAg 4 ⁢Sb 2 using electrical transport and magnetic torque measurements, along with first-principles calculations. Our transport data reveals its compensated semimetal nature with a magnetoresistance up to around 700% at 2 K and 9 T. Analysis of de Haas–van Alphen oscillations uncovers a Fermi surface consisting of three distinct Fermi pockets with light effective masses. Comparison between the three-dimensional fermiology obtained from our oscillation data and the first-principles calculations demonstrates excellent agreement. This confirms the accuracy of the calculations, which indicate a band inversion centered at the 𝑇 point and identify the existence of nontrivial tube and needle hole Fermi pockets at Γ, alongside one trivial diamond electron pocket at the 𝐹 point in the Brillouin zone. Furthermore, symmetry and topology analysis results in two potential sets of topological invariants, suggesting the emergence of two-dimensional gapless Dirac surface states either on the 𝑎⁢𝑏 planes or on both the 𝑎⁢𝑏 planes and mirror planes, protected by crystal symmetries. Therefore, SrAg 4 ⁢Sb 2 emerges as a promising candidate topological crystalline insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Proximity-enhanced valley Zeeman splitting at the WS 2 /graphene interface

The valley Zeeman physics of excitons in monolayer transition metal dichalcogenides provides valuable insight into the spin and orbital degrees of freedom inherent to these materials. Being atomically-thin materials, these degrees of freedom can be influenced by the presence of adjacent layers, due to proximity interactions that arise from wave function overlap across the 2D interface. Here, we report 60 T magnetoreflection spectroscopy of the A- and B- excitons in monolayer WS 2 , systematically encapsulated in monolayer graphene. While the observed variations of the valley Zeeman effect for the A- exciton are qualitatively in accord with expectations from the bandgap reduction and modification of the exciton binding energy due to the graphene-induced dielectric screening, the valley Zeeman effect for the B- exciton behaves markedly different. We investigate prototypical WS 2 /graphene stacks employing first-principles calculations and find that the lower conduction band of WS 2 at the <?CDATA $K/K^{^{\prime}}$?> K / K ′ valleys (the <:tex-math><?CDATA $\mathrm{CB}^-$?> C B − band) is strongly influenced by the graphene layer on the orbital level. Specifically, our detailed microscopic analysis reveals that the conduction band at the Q point of WS 2 mediates the coupling between <?CDATA $\mathrm{CB}^-$?> C B − and graphene due to resonant energy conditions and strong coupling to the Dirac cone. This leads to variations in the valley Zeeman physics of the B- exciton, consistent with the experimental observations. Our results therefore expand the consequences of proximity effects in multilayer semiconductor stacks, showing that wave function hybridization can be a multi-step energetically resonant process, with different bands mediating the interlayer interactions. Such effects can be further exploited to resonantly engineer the spin-valley degrees of freedom in van der Waals and moiré heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Plethora of tunable Weyl fermions in kagome magnet Fe 3 Sn 2 thin films

Interplay of magnetism and electronic band topology in unconventional magnets enables the creation and fine control of novel electronic phenomena. In this work, we use scanning tunneling microscopy and spectroscopy to study thin films of a prototypical kagome magnet Fe 3 Sn 2 . Our experiments reveal an unusually large number of densely-spaced spectroscopic features straddling the Fermi level. These are consistent with signatures of low-energy Weyl fermions and associated topological Fermi arc surface states predicted by theory. By measuring their response as a function of magnetic field, we discover a pronounced evolution in energy tied to the magnetization direction. Electron scattering and interference imaging further demonstrates the tunable nature of a subset of related electronic states. Our experiments provide a direct visualization of how in-situ spin reorientation drives changes in the electronic density of states of the Weyl fermion band structure. Combined with previous reports of massive Dirac fermions, flat bands, and electronic nematicity, our work establishes Fe 3 Sn 2 as an interesting platform that harbors an extraordinarily wide array of topological and correlated electron phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Epitaxial growth of monolayer PdTe 2 and patterned PtTe 2 by direct tellurization of Pd and Pt surfaces

Two-dimensional (2D) palladium ditelluride (PdTe 2 ) and platinum ditelluride (PtTe 2 ) are two Dirac semimetals, which have fascinating quantum properties such as superconductivity, magnetism and topological order and show the promising applications in future nanoelectronics and optoelectronics. However, the synthesis of PdTe 2 and PtTe 2 monolayers (MLs) is hindered by a strong interlayer coupling and orbital hybridization. Here, in this study, we demonstrate an efficient synthesis of PdTe 2 and PtTe 2 MLs Large-area and high quality MLs of PdTe 2 and patterned PtTe 2 were epitaxially grown on the Pd(111) and Pt(111) surfaces by direct telurization in ultra-high vacuum. This was confirmed by x-ray photoelectron spectroscopy, low energy electron diffraction and scanning tunnelling microscopy. PdTe 2 ML demonstrated high thermal stability showing no decomposition sign after annealing at 470 °C. A well-ordered (2 × 2) PtTe 2 structure with Kagome lattice was observed on Te/Pt(111) surface following annealing at 200 °C in UHV, where the (2 × 2) pattern was formed by Te atom vacancies. PtTe 2 multilayer film was prepared as well, and it demonstrated the excitation of the Dirac plasmons as measured by high-resolution electron energy loss spectroscopy. The direct tellurization offers the simple and reliable protocol for the preparation of the ML of PdTe 2 and patterned PtTe 2 , and this opens new opportunities for quantum phenomena research and for practical optoelectronics applications.

2D materials↗
DOE OSTI2025

Electronic structure of a nodal line semimetal candidate TbSbTe

The 𝐿⁢𝑛⁢SbTe (𝐿⁢𝑛 = Lanthanides) family, like isostructural ZrSiS-type compounds, has emerged as a fertile playground for exploring the interaction of electronic correlations and magnetic ordering with the nodal line band topology. Here, we report on a detailed electronic band structure investigation of TbSbTe, corroborated by electrical transport, thermodynamic, and magnetic studies. Temperature-dependent magnetic susceptibility and thermodynamic transport studies indicate the onset of antiferromagnetic ordering below 𝑇 𝑁 ∼ 5.8K. The electronic band structure study, carried out with high-resolution angle-resolved photoemission spectroscopy measurements aided with density functional theory–based first-principles calculations reveal presence of a nonsymmorphic symmetry-protected Dirac crossing in the Γ-X high-symmetry (HS) direction, which is part of a nodal line along the X-R HS direction. Another Dirac crossing occurs along the Γ-X direction at a relatively higher binding energy, which occurs from $\tilde{𝒞}$ 2⁢𝜈⁢ 𝒫 symmetry which is gapped in the theoretical calculations with the effect of spin-orbit coupling considered. Parallel to this direction, our theoretical calculations and experimental results exhibit strongly momentum-dependent surface bands. In this study, we open an avenue to further uncover the intricate interplay among symmetry-protected topological band structure, spin-orbit coupling, and magnetism in this material and the 𝐿⁢𝑛⁢SbTe family, in general.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2021

Rare Earth Engineering in R Mn 6 Sn 6 ( R = Gd–Tm, Lu) Topological Kagome Magnets

Exploration of the topological quantum materials with electron correlation is at the frontier of physics, as the strong interaction may give rise to new topological phases and transitions. Here we report that a family of kagome magnets RMn 6 Sn 6 manifest the quantum transport properties analogical to those in the quantum-limit Chern magnet TbMn 6 Sn 6 . The topological transport in the family, including quantum oscillations with nontrivial Berry phase and large anomalous Hall effect arising from Berry curvature field, points to the existence of Chern gapped Dirac fermions. Furthermore, our observation demonstrates a close relationship between rare-earth magnetism and topological electron structure, indicating the rare-earth elements can effectively engineer the Chern quantum phase in kagome magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Distributed heterogeneous compute infrastructure for the study of additive manufacturing systems

We present the current status of a large-scale computing framework to address the need of the multidisciplinary effort to study chemical dynamics. Specifically, we are enabling scientists to process and store experimental data, run large-scale computationally expensive high-fidelity physical simulation, and analyze these results using the state-of-the-art data analytics tools, machine learning, and uncertainty quantification methods using heterogeneous computing resources, such as CPU and GPU cluster. The framework can integrate or abstract out multiple domains based on roles. In order to develop this framework, we have leveraged an existing framework coupled with in-house heterogeneous computing resources. We present the results of using this framework on a single metadata triggered workflow to accelerate an additive manufacturing use case.

heterogeneous computing, hpc, workflows, reproduci↗
DOE OSTI2022

Nonsymmorphic symmetry-protected band crossings in a square-net metal PtPb 4

Topological semimetals with symmetry-protected band crossings have emerged as a rich landscape to explore intriguing electronic phenomena. Nonsymmorphic symmetries in particular have been shown to play an important role in protecting the crossings along a line (rather than a point) in momentum space. Here we report experimental and theoretical evidence for Dirac nodal line crossings along the Brillouin zone boundaries in PtPb 4 , arising from the nonsymmorphic symmetry of its crystal structure. Interestingly, while the nodal lines would remain gapless in the absence of spin–orbit coupling (SOC), the SOC, in this case, plays a detrimental role to topology by lifting the band degeneracy everywhere except at a set of isolated points. Nevertheless, the nodal line is observed to have a bandwidth much smaller than that found in density functional theory (DFT). Our findings reveal PtPb 4 to be a material system with narrow crossings approximately protected by nonsymmorphic crystalline symmetries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

In nodal-line semimetals, linearly dispersing states form Dirac loops in the reciprocal space with a high degree of electron-hole symmetry and a reduced density of states near the Fermi level. The result is reduced electronic screening and enhanced correlations between Dirac quasiparticles. In this study we investigate the electronic structure of ZrSiSe, by combining time- and angle-resolved photoelectron spectroscopy with ab initio density functional theory (DFT) complemented by an extended Hubbard model ( DFT + U + V ) and by time-dependent DFT + U + V . We show that electronic correlations are reduced on an ultrashort timescale by optical excitation of high-energy electrons-hole pairs, which transiently screen the Coulomb interaction. Our findings demonstrate an all-optical method for engineering the band structure of a quantum material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Dirac nodal arc in 1T-VSe 2

Transition metal dichalcogenides exhibit many fascinating properties including superconductivity, magnetic orders, and charge density wave. The combination of these features with a non-trivial band topology opens the possibility of additional exotic states such as Majorana fermions and quantum anomalous Hall effect. Here, we report on photon-energy and polarization dependent spin-resolved angle-resolved photoemission spectroscopy experiments on single crystal 1T-VSe 2 , revealing an unexpected band inversion and emergent Dirac nodal arc with spin-momentum locking. Density functional theory calculations suggest a surface lattice strain could be the driving mechanism for the topologically nontrivial electronic structure of 1T-VSe 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spin Texture Control and Magnetic Gap Engineering in a Ferromagnetic Insulator–Topological Insulator Sandwiched Heterostructure

Quantum materials that combine magnetism with topological order are emerging as key platforms for next-generation spintronics and low-energy electronics. They enable the realization of emergent quantum phenomena, such as the quantum anomalous Hall effect and axion insulator states. The ferromagnetic insulator (FMI)/topological insulator (TI)/FMI sandwich structure of a single-septuple layer (1SL) MnBi 2 Te 4 /four-quintuple layer (4QL) Bi 2 Te 3 /1SL MnBi 2 Te 4 holds great potential to achieve such desirable quantum phenomena at an elevated temperature, owing to its large Dirac point band gap and high Curie temperature. Here, for this work, spin- and angle-resolved photoemission spectroscopy (spin-ARPES) is employed to directly verify that the band gap arises from broken time-reversal symmetry via proximity-driven magnetization. This study demonstrates direct control of the spin state via external magnetic fields and unambiguously confirms the exchange interaction as the gap-opening mechanism. The robust magnetic gap and controllable spin texture make this heterostructure a suitable candidate for spintronic applications and magnetic topological quantum phases.

exchange gap↗
DOE OSTI2022

Real-space nanoimaging of THz polaritons in the topological insulator Bi 2 Se 3

Plasmon polaritons in topological insulators attract attention from a fundamental perspective and for potential THz photonic applications. Although polaritons have been observed by THz far-field spectroscopy on topological insulator microstructures, real-space imaging of propagating THz polaritons has been elusive so far. Here, we show spectroscopic THz near-field images of thin Bi 2 Se 3 layers (prototypical topological insulators) revealing polaritons with up to 12 times increased momenta as compared to photons of the same energy and decay times of about 0.48 ps, yet short propagation lengths. From the images we determine and analyze the polariton dispersion, showing that the polaritons can be explained by the coupling of THz radiation to various combinations of Dirac and massive carriers at the Bi 2 Se 3 surfaces, massive bulk carriers and optical phonons. Our work provides critical insights into the nature of THz polaritons in topological insulators and establishes instrumentation and methodology for imaging of THz polaritons.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interplay between strong correlations and electronic topology in the underlying kagome lattice of $\mathrm{Na_{2/3}CoO_2}$

Electronic topology in metallic kagome compounds is under intense scrutiny. We present transport experiments in $\mathrm{Na_{2/3}CoO_2}$ n which the Na order differentiates a Co kagome sublattice in the triangular CoO 2 layers. Hall and magnetoresistance (MR) data under high fields give evidence for the coexistence of light and heavy carriers. At low temperatures, the dominant light carrier conductivity at zero field is suppressed by a B-linear MR, suggesting Dirac-like quasiparticles. Lifshitz transitions induced at large B and T unveil the lower mobility carriers. They display a negative B 2 MR due to scattering from magnetic moments likely pertaining to a flat band. So, we emphasize an analogy with heavy fermion physics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental electronic structure of the electrically switchable antiferromagnet CuMnAs

Tetragonal CuMnAs is a room temperature antiferromagnet with an electrically reorientable Néel vector and a Dirac semimetal candidate. Direct measurements of the electronic structure of single-crystalline thin films of tetragonal CuMnAs using angle-resolved photoemission spectroscopy (ARPES) are reported, including Fermi surfaces (FS) and energy-wavevector dispersions. After correcting for a chemical potential shift of ≈ – 390 meV (hole doping), there is excellent agreement of FS, orbital character of bands, and Fermi velocities between the experiment and density functional theory calculations. In addition, 2×1 surface reconstructions are found in the low energy electron diffraction (LEED) and ARPES. This work underscores the need to control the chemical potential in tetragonal CuMnAs to enable the exploration and exploitation of the Dirac fermions with tunable masses, which are predicted to be above the chemical potential in the present samples.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Topological magnons and topological electronic properties in metallic Kagome magnets

The primary goal of this project is to study metallic Kagome magnets that potentially host topological electronic properties and topological magnetic excitations, aiming to understand the effect of lattice geometry on topological character of magnons and electronic bands and to study the interplay between magnetism and topological electronic properties. Through this DOE-funded research program, we have unraveled novel electronic and thermoelectric properties of RMn 6 Sn 6 (R = Y, Tb, and Er) and Fe 3 Ge Kagome magnets, including anomalous Hall effect and anomalous Nernst effect, which are associated with the Berry curvature contribution from the massive Dirac gaps in the 3D momentum space. In addition, we have also revealed topological Hall effect and topological Nernst effect, and we ascribed these phenomena to the Berry curvature associated with the magnetic field-induced non-zero scalar spin chirality. These features highlight the synergic effects of the Berry phases in both momentum space and real space of Kagome magnets, which render them excellent candidates for room-temperature electronic and thermoelectric applications based on transverse transport. In addition, through this program we have also study novel thermal transport properties of quantum materials by probing the thermal Hall effect, which can provide crucial insights into nontrivial topological character and chirality of quasiparticles like magnons and magnon-polarons. This report provides an overview of some project activities related to these accomplishments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hexagonal layered group IV–VI semiconductors and derivatives: fresh blood of the 2D family

New phases of group IV–VI semiconductors in 2D hexagonal structures are predicted and their unusual physical properties are revealed. The structures of monolayer group IV–VI semiconductors are similar to those of blue phosphorene and each unit has the same ten valence electrons. The band gap of 2D hexagonal group IV–VI semiconductors depends on both the thickness and stacking order. Atomic functionalization can induce ferromagnetism, and the Curie temperature can be tuned. Gapped Dirac fermions with zero mass are developed and this makes it exceed that of graphene. Finally, the Fermi velocity can be compared to or even above that of graphene.

77 NANOSCIENCE AND NANOTECHNOLOGY↗