skip to main content


Title: Exploration of two surfaces observed in Weyl semimetal BaMnSb2
Abstract

Single crystalline BaMnSb2is considered as a 3D Weyl semimetal with the 2D electronic structure containing Dirac cones from the Sb sheet. We report experimental investigation of low-temperature cleaved BaMnSb2surfaces using scanning tunneling microscopy/spectroscopy and low energy electron diffraction. By natural cleavage, we find two terminations: one is Ba (above the orthorhombically distorted Sb sheet) and another Sb2 (at the surface of the Sb/Mn/Sb sandwich layer). Both terminations show the 2 × 1 surface reconstructions, with drastically different morphologies and electronic properties, however. The reconstructed structures, defect types and nature of the electronic structures of the two terminations are extensively studied. The quasiparticle interference (QPI) analysis is conducted at the energy range between −2 V and 2 V, although no interesting states are observed near the Fermi level, the surface-projected electronic band structures strongly depend on the surface termination above 1.6 V. The existence of defects can greatly modify the local density of states to create electronic phase separations on the surface in the order of tens of nm scale. Our observation on the atomic structures of the terminations and the corresponding electronic structures provides critical information towards an understanding of topological properties of BaMnSb2.

 
more » « less
NSF-PAR ID:
10370360
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ;
Publisher / Repository:
Nature Publishing Group
Date Published:
Journal Name:
npj Quantum Materials
Volume:
7
Issue:
1
ISSN:
2397-4648
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract

    Previous high-resolution angle-resolved photoemission (ARPES) studies of URu2Si2have characterized the temperature-dependent behavior of narrow-band states close to the Fermi level (EF) at low photon energies near the zone center, with an emphasis on electronic reconstruction due to Brillouin zone folding. A substantial challenge to a proper description is that these states interact with other hole-band states that are generally absent from bulk-sensitive soft x-ray ARPES measurements. Here we provide a more globalk-space context for the presence of such states and their relation to the bulk Fermi surface (FS) topology using synchrotron-based wide-angle and photon energy-dependent ARPES mapping of the electronic structure using photon energies intermediate between the low-energy regime and the high-energy soft x-ray regime. Small-spot spatial dependence,f-resonant photoemission, Si 2pcore-levels, x-ray polarization, surface-dosing modification, and theoretical surface slab calculations are employed to assist identification of bulk versus surface state character of theEF-crossing bands and their relation to specific U- or Si-terminations of the cleaved surface. The bulk FS topology is critically compared to density functional theory (DFT) and to dynamical mean field theory calculations. In addition to clarifying some aspects of the previously measured high symmetry Γ,ZandXpoints, incommensurate 0.6a* nested Fermi-edge states located alongZNZare found to be distinctly different from the DFT FS prediction. The temperature evolution of these states aboveTHO, combined with a more detailed theoretical investigation of this region, suggests a key role of theN-point in the hidden order transition.

     
    more » « less
  2. Abstract

    The class ofAV3Sb5(A=K, Rb, Cs) kagome metals hosts unconventional charge density wave states seemingly intertwined with their low temperature superconducting phases. The nature of the coupling between these two states and the potential presence of nearby, competing charge instabilities however remain open questions. This phenomenology is strikingly highlighted by the formation of two ‘domes’ in the superconducting transition temperature upon hole-doping CsV3Sb5. Here we track the evolution of charge correlations upon the suppression of long-range charge density wave order in the first dome and into the second of the hole-doped kagome superconductor CsV3Sb5−xSnx. Initially, hole-doping drives interlayer charge correlations to become short-ranged with their periodicity diminished along the interlayer direction. Beyond the peak of the first superconducting dome, the parent charge density wave state vanishes and incommensurate, quasi-1D charge correlations are stabilized in its place. These competing, unidirectional charge correlations demonstrate an inherent electronic rotational symmetry breaking in CsV3Sb5, and reveal a complex landscape of charge correlations within its electronic phase diagram. Our data suggest an inherent 2kfcharge instability and competing charge orders in theAV3Sb5class of kagome superconductors.

     
    more » « less
  3. Abstract

    A comprehensive study on the prototype solid solution phase carbonitride MXene Ti3CN is conducted using nuclear magnetic resonance, electron spin resonance, total and quasi‐elastic neutron scattering, combined with density functional theory‐based electronic structure and molecular dynamic calculations. The combination of experiment and theory lead toward rational atomic structural models of Ti3CN. The remnant Al ions from the etching process significantly tune the interlayer spacing, distinct from the more typical MXene, Ti3C2, prepared similarly. Neutron scattering indicates the surface terminations of Ti3CN display high oxygen and fluorine concentrations and rather low hydroxyl and hydrogen concentrations. Calculations show that the structure including both the residual Al ions and mixed surface terminations give the best agreement with the measurements. The water molecules in Ti3CN are highly immobile, in strong contrast to those in Ti3C2. The analysis of the electronic structure suggests that the nitride MXene displays higher conductivity than the carbides. The absence of hydroxyl groups in terminations, the solid‐solution in the anion sites, the remnants within layers, and immobile water altogether make the carbonitrides a unique series in the MXene family, implying a further exploration of their exotic properties and applications in energy storage.

     
    more » « less
  4. Abstract

    Anisotropic colloidal crystals are materials with novel optical and electronic properties. However, experimental observations of colloidal single crystals have been limited to relatively isotropic habits. Here, we show DNA-mediated crystallization of two types of nanoparticles with different hydrodynamic radii that form highly anisotropic, hexagonal prism microcrystals with AB2crystallographic symmetry. The DNA directs the nanoparticles to assemble into a non-equilibrium crystal shape that is enclosed by the highest surface energy facets (AB2(10$$\overline 1$$1¯0) and AB2(0001)). Simulations and theoretical arguments show that this observation is a consequence of large energy barriers between different terminations of the AB2(10$$\overline 1$$1¯0) facet, which results in a significant deceleration of the (10$$\overline 1$$1¯0) facet growth rate. In addition to reporting a hexagonal colloidal crystal habit, this work introduces a potentially general plane multiplicity mechanism for growing non-equilibrium crystal shapes, an advance that will be useful for designing colloidal crystal habits with important applications in both optics and photocatalysis.

     
    more » « less
  5. Abstract

    The global minima of urea and thiourea were characterized along with other low‐lying stationary points. Each structure was optimized with the CCSD(T) method and triple‐ζcorrelation consistent basis sets followed by harmonic vibrational frequency computations. Relative energies evaluated near the complete basis set limit with both canonical and explicitly correlated CCSD(T) techniques reveal several subtle but important details about both systems. These computations resolve a discrepancy by demonstrating that the electronic energy of the C2vsecond‐order saddle point of urea lies at least 1.5 kcal mol−1above the C2global minimum regardless of whether the structures were optimized with MP2, CCSD, or CCSD(T). Additionally, urea effectively has one minimum instead of two because the electronic barrier for inversion at one amino group in the Cslocal minimum vanishes at the CCSD(T) CBS limit. Characterization of both systems with the same ab initio methods and large basis sets conclusively establishes that the electronic barriers to inversion at one or both NH2groups in thiourea are appreciably smaller than in urea. CCSDT(Q)/cc‐pVTZ computations show higher‐order electron correlation effects have little impact on the relative energies and are consistently offset by core correlation effects of opposite sign and comparable magnitude.

     
    more » « less