Emergence of Orbital Angular Momentum by Inversion Symmetry Breaking and Its Detection by ARPES
Choong H. Kim, Jin-Hong Park, Jun Won Rhim, Beom Young Kim, Jaejun Yu, Masashi Arita, Kenya Shimada, Hirofumi Namatame, Masaki Taniguchi, Changyoung Kim, Jung Hoon Han
备注：
5 pages, 2 figures, ARPES experiment on Cu included; author list updated, This version will not be published. A newer version, which is submitted, is available at arXiv:1112.1821
Rashba-split surface band is characterized by a one-to-one correspondence between the electron's momentum k and its spin orientation. Here we show that a similar correspondence between momentum and orbital angular momentum (OAM) must exist on surface bands once the inversion symmetry is broken. The correspondence is valid even when there is no spin-orbit interaction. Tight-binding and first-principles calculations are presented to support our claim. As a method to detect such OAM-momentum correspondence, we propose the circular dichroism (CD) experiment using the angle-resolved photoemission (ARPES) setup. CD-ARPES experiment performed on Cu surface confirms the existence of chiral OAM. A new concept of "orbital Galvanic effect" is proposed.
We investigate the hidden Berry curvature in bulk 2H-WSe2 by utilizing the surface sensitivity of angle resolved photoemission (ARPES). The symmetry in the electronic structure of transition metal dichalcogenides is used to uniquely determine the local orbital angular momentum (OAM) contribution to the circular dichroism (CD) in ARPES. The extracted CD signals for the K and K' valleys are almost identical but their signs, which should be determined by the valley index, are opposite. In addition, the sign is found to be the same for the two spin-split bands, indicating that it is independent of…
We have performed angle-resolved photoemission spectroscopy (ARPES) of LaSb and CeSb, a candidate of topological insulator. Using soft-x-ray photons, we have accurately determined the three-dimensional bulk band structure and revealed that the band inversion at the Brillouin-zone corner - a prerequisite for realizing topological-insulator phase - is absent in both LaSb and CeSb. Moreover, unlike the ARPES data obtained with soft-x-ray photons, those with vacuum ultraviolet (VUV) photons were found to suffer significant $k_z$ broadening. These results suggest that LaSb and CeSb are topologicall…
FeSe${}_{0.45}$Te${}_{0.55}$ (FeSeTe) has recently emerged as a promising candidate to host topological superconductivity, with a Dirac surface state and signatures of Majorana bound states in vortex cores. However, correlations strongly renormalize the bands compared to electronic structure calculations, and there is no evidence for the expected bulk band inversion. We present here a comprehensive angle resolved photoemission (ARPES) study of FeSeTe as function of photon energies ranging from 15 - 100 eV. We find that although the top of bulk valence band shows essentially no $k_z$ dispersion…
SnTe is a prototypical topological crystalline insulator, in which the gapless surface state is protected by a crystal symmetry. The hallmark of the topological properties in SnTe is the Dirac cones projected to the surfaces with mirror symmetry, stemming from the band inversion near the L points of its bulk Brillouin zone, which can be measured by angle-resolved photoemission. We have obtained the (111) surface of SnTe film by molecular beam epitaxy on BaF2(111) substrate. Photon-energy-dependence of in situ angle-resolved photoemission, covering multiple Brillouin zones in the direction perp…
Using angle resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations we studied the low-energy electronic structure of bulk ZrTe$_2$. ARPES studies on ZrTe$_2$ demonstrate free charge carriers at the Fermi level, which is further confirmed by the DFT calculations. An equal number of hole and electron carrier density estimated from the ARPES data, points ZrTe$_2$ to a semimetal. The DFT calculations further suggest a band inversion between Te $p$ and Zr $d$ states at the $Γ$ point, hinting at the non-trivial band topology in ZrTe$_2$. Thus, our studies for th…
We have performed angle-resolved photoemission spectroscopy (ARPES) on CeBi which undergoes a two-step antiferromagnetic (AF) transition with temperature. Soft-x-ray ARPES has revealed the inverted band structure at the X point of bulk Brillouin zone for CeBi (and also for LaBi) as opposed to LaSb with non-inverted band structure. Low-energy ARPES on CeBi has revealed the Dirac-cone band at the Gamma point in the paramagnetic phase associated with the bulk band inversion. On the other hand, a double Dirac-cone band appears on entering the first AF phase at T = 25 K, whereas a single Dirac-cone…
We discover a pair of spin-polarized surface bands on the (111) face of grey arsenic by using angle-resolved photoemission spectroscopy (ARPES). In the occupied side, the pair resembles typical nearly-free-electron Shockley states observed on noble-metal surfaces. However, pump-probe ARPES reveals that the spin-polarized pair traverses the bulk band gap and that the crossing of the pair at $\barΓ$ is topologically unavoidable. First-principles calculations well reproduce the bands and their non-trivial topology; the calculations also support that the surface states are of Shockley type because…
The combination of space inversion and time reversal symmetries result in doubly-degenerate Bloch states with opposite spin. Many lattices with these symmetries can be constructed by combining a noncentrosymmetric potential (lacking this degeneracy) with its inverted copy. Using simple models, we unravel the evolution of local spin-splitting during this process of inversion symmetry restoration, in the presence of spin-orbit interaction and sublattice coupling. Importantly, through an analysis of quantum mechanical commutativity, we examine the difficulty of identifying states that are simulta…
Reexamining Circular Dichroism in Photoemission From a Topological Insulator
Tel Aviv University（特拉维夫大学）；École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）；University of West Bohemia（西波希米亚大学）；Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory（斯坦福材料能源科学研究所，SLAC国家加速器实验室）；Geballe Laboratory for Advanced Materials, Stanford University（斯坦福大学高威实验室）；Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory（SLAC国家加速器实验室斯坦福同步辐射光源）
Using classical Monte Carlo simulations, we study a simple statistical mechanical model of relevance to the emergence of polarisation from local displacements on the square and cubic lattices. Our model contains two key ingredients: a Kitaev-like orientation-dependent interaction between nearest neighbours, and a steric term that acts between next-nearest neighbours. Taken by themselves, each of these two ingredients is incapable of driving long-range symmetry breaking, despite the presence of a broad feature in the corresponding heat capacity functions. Instead each component results in a "hi…
We study the mechanism of the exceptionally large anomalous Hall effect (AHE) in the noncentrosymmetric antiferromagnet $\mathrm{Co}\mathrm{Nb}_3\mathrm{S}_6$ by angle-resolved photoemission spectroscopy (ARPES) and magnetotransport measurements. From ARPES measurements of $\mathrm{Co}\mathrm{Nb}_3\mathrm{S}_6$ and its family compounds ($\mathrm{Fe}\mathrm{Nb}_3\mathrm{S}_6$ and $\mathrm{Ni}\mathrm{Nb}_3\mathrm{S}_6$), we find a band dispersion unique to the Co intercalation existing near the Fermi level. We further demonstrate that a slight deficiency of sulfur in $\mathrm{Co}\mathrm{Nb}_3\ma…
Dirac semimetals associated with bulk Dirac fermions are well-known in topological electronic systems. In sharp contrast, three-dimensional (3D) Dirac phonons in crystalline solids are still unavailable. Here we perform symmetry arguments and first-principles calculations to systematically investigate 3D Dirac phonons in all space groups with inversion symmetry. The results show that there are two categories of 3D Dirac phonons depending on their protection mechanisms and positions in momentum space. The first category originates from the four-dimensional irreducible representations at the hig…
Topological kagome systems have been a topic of great interest in condensed matter physics due totheir unique electronic properties. The vanadium-based kagome materials are particularly intrigu-ing since they exhibit exotic phenomena such as charge density wave (CDW) and unconventionalsuperconductivity. The origin of these electronic instabilities is not fully understood, and the re-cent discovery of a charge density wave in ScV6Sn6provides a new avenue for investigation. In thiswork, we investigate the electronic structure of the novel kagome metal ScV6Sn6using angle resolvedphotoemission spe…
The rare-earth monopnictide LaBi exhibits exotic magneto-transport properties including an extremely large and anisotropic magnetoresistance. Experimental evidence for topological surface states is still missing although band inversions have been postulated to induce a topological phase in LaBi. By employing angle-resolved photoemission spectroscopy (ARPES) in conjunction with $ab~initio$ calculations, we have revealed the existence of surface states of LaBi through the observation of three Dirac cones: two coexist at the corners and one appears at the center of the Brillouin zone. The odd num…
Epitaxial Growth and Electronic Properties of QuasiFreeStanding Rhombohedral WSe2 Bilayers on Cubic W110
Université Paris-Saclay（巴黎萨克雷大学）；CNRS, Centre de Nanosciences et de Nanotechnologies（法国国家科学研究中心，纳米科学与技术中心）；Thales Research & Technology (TRT)（泰雷兹研究与技术）；Université de Toulouse, INSA-CNRS-UPS, LPCNO（图卢兹大学，INSA-CNRS-UPS，LPCNO）；Synchrotron SOLEIL（索莱尔同步辐射中心）
The discovery of strong topological insulators led to enormous activity in condensed matter physics and the discovery of new types of topological materials. Bisumth based chalcogenides are exemplary strong three dimensional topological insulators that host an odd number of massless Dirac fermionic states on all surfaces. A departure from this notion is the idea of a weak topological insulator, wherein only certain surface terminations host surface states characterized by an even number of Dirac cones leading to exciting new physics. Experimentally however, weak topological insulators have prov…
Quasi One Dimensional Dirac Electrons on the Surface of Ru$_2$Sn$_3$
利用ARPES方法研究了新型三维强拓扑绝缘体Ru $_2$ Sn $_3$的表面态.与目前已知的3D TI（其显示具有穿过表面布里渊区（SBZ）中的一个点的线性各向同性色散的二维狄拉克锥）相比，Ru $_2$ Sn $_3$上的表面状态是高度各向异性的，显示沿着某些高对称方向的几乎平坦的色散。这导致准一维（1D）狄拉克电子态在整个SBZ，我们认为是继承的Ru $_2$ Sn $_3$的体电子结构中的功能，其中体导带是高度各向异性的。与先前实验表征的TI不同，Ru $_2$ Sn $_3$的拓扑表面态是d-p带反转而不是s-p带反转的结果。所观测到的表面态在拓扑上等价于表面布里渊区的单个2D狄拉克锥
Dabconium hybrid perovskites include a number of recently-discovered ferroelectric phases with large spontaneous polarisations. The origin of ferroelectric response has been rationalised in general terms in the context of hydrogen bonding, covalency, and strain coupling. Here we use a combination of simple theory, Monte Carlo simulations, and density functional theory calculations to assess the ability of these microscopic ingredients---together with the always-present through-space dipolar coupling---to account for the emergence of polarisation in these particular systems whilst not in other …
Young and Kane have given a great insight for 2D Dirac semimetals with nontrivial topology in the presence of nonsymmorphic crystalline symmetry. Based on one of 2D nonsymmorphic square lattice structures they proposed, we further construct a set of 3D minimal tight-binding models via vertically stacking the 2D nonsymmorphic lattice. Specifically, our model provides a platform to generate three topologically semimetallic phases such as Dirac nodal line semimetals, Weyl nodal line semimetals and Weyl semimetals. The off-centered mirror symmetry sufficiently protects nodal lines emerging within …
Materials with strong spin-orbit coupling (SOC) have in recent years become a subject of intense research due to their potential applications in spintronics and quantum information technology. In particular, in systems which break inversion symmetry, SOC facilitates the Rashba-Dresselhaus effect, leading to a lifting of spin degeneracy in the bulk and intricate spin textures of the Bloch wave functions. Here, by combining angular resolved photoemission (ARPES) and low temperature scanning tunneling microscopy (STM) measurements with relativistic first-principles band structure calculations, we…
In this letter, we predict the emergence of non-trivial band topology in the family of XX'Bi compounds having $P\overline{6}2m$ (\# 189) space group. Using first principles calculations within hybrid functional framework, we demonstrate that NaSrBi and NaCaBi are strong topological insulator under controlled band engineering. Here, we propose three different ways to engineer the band topology to get a non-trivial order: (i) hydrostatic pressure, (ii) biaxial strain (due to epitaxial mismatch), and (iii) doping. Non-triviality is confirmed by investigating bulk band inversion, topological Z$_2$…
Realization of a parity-violating antiferromagnetic state in LaMnSi
Graduate School of Advanced Science and Engineering, Hiroshima University（广岛大学先进理工学研究科）；International Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM 2 ), Hiroshima University（广岛大学螺旋手性超物质可持续研究所（WPI-SKCM2））；Department of Chemical System Engineering, Graduate School of Engineering, The University of Tokyo（东京大学大学院工学系研究科化学系统工程专业）；Research Institute for Synchrotron Radiation Science, Hiroshima University（广岛大学同步辐射科学研究所以）；Japan Synchrotron Radiation Research Instit（日本同步辐射研究机构）
The contribution of bulk and surface to the electrical resistance along crystallographic \textit{b}- and \textit{c}-axes as a function of crystal thickness gives evidence for a temperature independent surface states in an antiferromagnetic narrow-gap semiconductor CrSb$_{2}$. ARPES shows a clear electron-like pocket at $Γ$-$Z$ direction which is absent in the bulk band structure. First-principles calculations also confirm the existence of metallic surface states inside the bulk gap. Whereas combined experimental probes point to enhanced surface conduction similar to topological insulators, sur…
Using spin- and angle- resolved photoemission spectroscopy (spin-ARPES) together with ${\it ab~initio}$ calculations, we demonstrate the existence of a type-II Dirac semimetal state in NiTe$_2$. We show that, unlike PtTe$_2$, PtSe$_2$, and PdTe$_2$, the Dirac node in NiTe$_2$ is located in close vicinity of the Fermi energy. Additionally, NiTe$_2$ also hosts a pair of band inversions below the Fermi level along the $Γ-A$ high-symmetry direction, with one of them leading to a Dirac cone in the surface states. The bulk Dirac nodes and the ladder of band inversions in NiTe$_2$ support unique topo…
Carbon allotropes have a large family of materials with varieties of crystal structures and properties and can realize different topological phases. Using first principles calculations, we predict a new two-dimensional (2D) carbon allotrope, namely penta-octa-graphene, which consists of pentagonal and octagonal carbon rings. We find that penta-octa-graphene can host both type-I and type-II Dirac line nodes (DLNs). The band inversion between conduction and valence bands forms the type-I DLNs and the two highest valence bands form the type-II DLNs. We find that the type-I DLNs are robust to the …
Topological properties of systems lead to the emergence of surface states which can be observed experimentally within the angle-resolved photoemission spectroscopy (ARPES) measurements. Recently, the topological properties of Pb$_{2}$Pd were reported. In this paper, we discuss the role of the surface termination on the realized surface states. We discuss the termination dependence of the surface state for (001) and (110) surface. We demonstrate that the Pd terminated (001) surface allow realization of the Dirac cone-like surface state. In the case (110) we observe well visible surface states w…
Relativistic and nonrelativistic spin splitting above and below the Fermi level in a $g$-wave altermagnet
Lawrence Berkeley National Lab（劳伦斯伯克利国家实验室）；University of California, Berkeley（加州大学伯克利分校）；University of Notre Dame（圣母大学）；Carnegie Mellon University（卡内基梅隆大学）
We theoretically demonstrate how competition between band inversion and spin-orbit coupling (SOC) results in nontrivial evolution of band topology, taking antiperovskite Ba$_3$SnO as a prototype material. A key observation is that when the band inversion dominates over SOC, there appear "twin" Dirac cones in the band structure. Due to the twin Dirac cones, the band shows highly peculiar structure in which the upper cone of one of the twin continuously transforms to the lower cone of the other. Interestingly, the relative size of the band inversion and SOC is controlled in this series of antipe…
The topological Hall effect (THE) has been discovered in ultrathin SrRuO3 (SRO) films, where the interface between the SRO layer and another oxide layer breaks the inversion symmetry resulting in the appearance of THE. Thus, THE only occurs in ultra-thin SRO films of several unit cells. In addition to employing a heterostructure, the inversion symmetry can be broken intrinsically in bulk SRO by introducing defects. In this study THE is observed in 60 nm thick SRO films, in which defects and lattice distortions are introduced by helium ion irradiation. The irradiated SRO films exhibit a pronoun…
Optical evidence of surface state suppression in Bi based topological insulators
凝聚态研究的一个关键挑战是拓扑绝缘体（TI）化合物的优化，以研究其独特的表面状态和未来的应用。真正绝缘的体态将允许利用预测的表面态性质，如防止反向散射，无耗散的自旋极化电流，以及新粒子的出现。为此，最近取得了重大进展，引入了高电阻的Bi $_2$ Te $_2$ Se，其中在低温下观察到表面态电导和量子振荡。然而，一个悬而未决的关键问题仍然存在：虽然室温ARPES研究揭示了TI表面状态的明确证据，但它们在运输实验中的观察仅限于低温。更好地理解这种表面态抑制在高温下是根本的利益，并推动设备应用的边界向室温操作至关重要。在这项工作中，我们同时测量TI体和表面状态，通过温度相关的光学光谱，结合运输和ARPES测量。我们发现在低温下相干表面态输运的证据，并提出声子介导的体和表面态之间的耦合抑制表面电导随着温度的升高。
Given the importance of crystal symmetry for the emergence of topological quantum states, we have studied, as exemplified in NbNiTe2, the interplay of crystal symmetry, atomic displacements (lattice vibration), band degeneracy, and band topology. For NbNiTe2 structure in space group 53 (Pmna) - having an inversion center arising from two glide planes and one mirror plane with a 2-fold rotation and screw axis - a full gap opening exists between two band manifolds near the Fermi energy. Upon atomic displacements by optical phonons, the symmetry lowers to space group 28 (Pma2), eliminating one gl…
A quantum spin Hall (QSH) insulator is a novel two-dimensional quantum state of matter that features quantized Hall conductance in the absence of magnetic field, resulting from topologically protected dissipationless edge states that bridge the energy gap opened by band inversion and strong spin-orbit coupling. By investigating electronic structure of epitaxially grown monolayer 1T'-WTe2 using angle-resolved photoemission (ARPES) and first principle calculations, we observe clear signatures of the topological band inversion and the band gap opening, which are the hallmarks of a QSH state. Scan…
The Weyl semimetal MoTe$_2$ offers a rare opportunity to study the interplay between Weyl physics and superconductivity. Recent studies have found that Se substitution can boost the superconductivity up to 1.5K, but suppress the Td structure phase that is essential for the emergence of Weyl state. A microscopic understanding of possible coexistence of enhanced superconductivity and the Td phase has not been established so far. Here, we use scanning tunneling microscopy (STM) to study a optimally doped new superconductor MoTe$_{1.85}$Se$_{0.15}$ with bulk Tc ~ 1.5K. By means of quasiparticle in…
Spin-dependent electric dipole operators are investigated group-theoretically for the emergence of an electric dipole induced by a single spin or by two spins, where the spin dependences are completely classified up to the quadratic order. For a single spin, a product of spin operators behaves as an even-parity electric quadrupole operator, which differs from an odd-parity electric dipole. The lack of the inversion symmetry allows the even- and odd-parity mixing, which leads to the electric dipole described by the electric quadruple operators. Point-group tables are given for classification of…
X-ray diffraction pressure studies at room temperature demonstrate that the spinel FeAl$_{2}$O$_{4}$ transforms to a tetragonal phase at ~18 GPa. This tetragonal phase has a highly irregular unit-cell volume versus pressure dependence up to ~45 GPa, after which a transformation to a Cmcm post-spinel phase is onset. This is attributable to pressure driven Fe-Al site inversion at room temperature, corroborated by signatures in the 57Fe Mössbauer spectroscopy pressure data. At the tetragonal to post-spinel transition, onset in the range 45-50 GPa, there is a concurrent emergence of a non-magnetic…
Thin Bi films are interesting candidates for spintronic applications due to a large spin-orbit splitting that, combined with the loss of inversion symmetry at the surface, results in a band structure that is not spin-degenerate. In recent years, applications for topological insulators based on Bi and Bi alloys have as well attracted much attention. Here we present ARPES studies of Bi/InAs(100) interface. Bismuth deposition followed by annealing of the surface results in the formation of one full Bi monolayer decorated by Bi-nanolines. We found that the building up of the interface does affect …
In magnetic topological insulators (TIs), the interplay between magnetic order and nontrivial topology can induce fascinating topological quantum phenomena, such as the quantum anomalous Hall effect, chiral Majorana fermions and axion electrodynamics. Recently, a great deal of attention has been focused on the intrinsic magnetic TIs, where disorder effects can be eliminated to a large extent, which is expected to facilitate the emergence of topological quantum phenomena. In despite of intensive efforts, experimental evidence of the topological surface states (SSs) remains elusive. Here, by com…
