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Antiferromagnetic (AF) topological materials offer a fertile ground to explore a variety of quantum phenomena such as axion magnetoelectric dynamics and chiral Majorana fermions. To realize such intriguing states, it is essential to establish a direct link between electronic states and topology in the AF phase, whereas this has been challenging because of the lack of a suitable materials platform. Here we report the experimental realization of the AF topological-insulator phase in NdBi. By using micro-focused angle-resolved photoemission spectroscopy, we discovered contrasting surface electronic states for two types of AF domains; the surface having the out-of-plane component in the AF-ordering vector displays Dirac-cone states with a gigantic energy gap, whereas the surface parallel to the AF-ordering vector hosts gapless Dirac states despite the time-reversal-symmetry breaking. The present results establish an essential role of combined symmetry to protect massless Dirac fermions under the presence of AF order and widen opportunities to realize exotic phenomena utilizing AF topological materials., Comment: 28 pages, 12 figures

We report on a pure $^{181}$Ta-nuclear quadrupole resonance (NQR) measurement of PbTaSe$_2$ at zero magnetic field, which has the advantage of directly probing the intrinsic superconducting phase and electronic states of the TaSe$_2$ layer. We observed the $^{181}$Ta-NQR spectrum of the intrinsic structure with space group $P6$-$m2$, which agrees well with density functional theory (DFT) calculations. The nuclear spin relaxation rate ($1/T_1$) shows an exponential decrease well below $T_{\rm_c}$, indicating that the superconducting state is fully gapped in the framework of Bardeen-Cooper-Schrieffer (BCS) theory. The gap size obtained by $^{181}$Ta-NQR was smaller than the value in previous reports, which may imply that the Fermi surfaces composed of Ta-5$d$ orbitals, where the average pairing interactions are expected to be weaker than in BCS model, are primarily probed. The temperature dependence of $1/T_1$ below $T_{\rm_c}$ can be reproduced well by the superposition of quadrupole and magnetic relaxation mechanisms, together with the distribution of superconducting gap size inherent to multiple Fermi surfaces theoretically proposed in PbTaSe$_2$., Comment: 14 pages, 4 figures. Accepted in Physical Review B

We report 75As-nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements on transition-metal arsenides LaRu2As2, KCa2Fe4As4F2, and A2Cr3As3. In the superconducting state of LaRu2As2, a Hebel- Slichter coherence peak is found in the temperature dependence of the spin-lattice relaxation rate-1/T1 just below Tc, which indicates that LaRu2As2 is a full-gap superperconducor. For KCa2Fe4As4F2, antiferromagnetic spin fluctuations are observed in the normal state. We further find that the anisotropy rate RAF = Tc1/Tab1 is small and temperature independent, implying that the low energy spin fluctuations are isotropic in spin space. Our results indicate that KCa2Fe4As4F2 is a moderately overdoped iron-arsenide high-temperature superconductor with a stoichiometric composition. For A2Cr3As3, we calculate the electric field gradient by first-principle method and assign the 75As-NQR peaks with two crystallographically different As sites, paving the way for further NMR investigation., Comment: 19 pages, 10 figures

Realization of topological superconductors (TSCs) hosting Majorana fermions is a central challenge in condensed-matter physics. One approach is to use the superconducting proximity effect (SPE) in heterostructures, where a topological insulator contacted with a superconductor hosts an effective p-wave pairing by the penetration of Cooper pairs across the interface. However, this approach suffers a difficulty in accessing the topological interface buried deep beneath the surface. Here, we propose an alternative approach to realize topological superconductivity without SPE. In a Pb(111) thin film grown on TlBiSe2, we discover that the Dirac-cone state of substrate TlBiSe2 migrates to the top surface of Pb film and obtains an energy gap below the superconducting transition temperature of Pb. This suggests that a BCS superconductor is converted into a TSC by the topological proximity effect. Our discovery opens a route to manipulate topological superconducting properties of materials., Comment: 22 pages, 7 figures

We investigate the crystal structure in multiferroic tetragonal perovskite Sr$_{1/2}$Ba$_{1/2}$MnO$_3$ with high accuracy of the order of 10$^{-3}$ Angstrom for an atomic displacement. The large atomic displacement for Mn ion from the centerosymmetric position, comparable with the off-centering distortion in the tetragonal ferroelectric BaTiO$_3$, is observed in the ferroelectric phase ($T_\mathrm{N}$ $\leq$ $T$ $\leq$ $T_\mathrm{C}$). In stark contrast, in the multiferroic phase ($T$ $\leq$ $T_\mathrm{N}$), the atomic displacement for Mn ion is suppressed, but those for O ions are enlarged. The atomic displacements in the polar crystal structures are also analyzed in terms of the ferroelectric modes. In the ferroelectric phase, the atomic displacements are decomposed into dominant positive Slater, negative Last, and small positive Axe modes. The suppression of Slater and Last modes, the sign change of Last mode, and the enlargement of Axe mode are found in the multiferroic phase. The ferroelectric distortion is well reproduced by a first-principles calculation based on Berry phase method, providing an additional information on competing mechanisms to induce the polarization, electronic $p$-$d$ hybridization vs. magnetic exchange-striction., Comment: 8 pages, 5 figures, and 4 tables

We have performed angle-resolved photoemission spectroscopy on transition-metal dichalcogenide 1$T$-HfTe$_2$ to elucidate the evolution of electronic states upon potassium (K) deposition. In pristine HfTe$_2$, an in-plane hole pocket and electron pockets are observed at the Brillouin-zone center and corner, respectively, indicating the semimetallic nature of bulk HfTe$_2$, with dispersion perpendicular to the plane. In contrast, the band structure of heavily K-dosed HfTe$_2$ is obviously different from that of bulk, and resembles the band structure calculated for monolayer HfTe$_2$. It was also observed that lightly K-dosed HfTe$_2$ is characterized by quantized bands originating from bilayer and trilayer HfTe$_2$, indicative of staging. The results suggest that the dimensionality-crossover from 3D (dimensional) to 2D electronic states due to systematic K intercalation takes place via staging in a single sample. The study provides a new strategy for controlling the dimensionality and functionality of novel quantum materials., Comment: 7 pages, 4 figures

Detailed information on the electronic states of both V and Mn 3d electrons in the ferrimagnet Mn2VAl is obtained by the bulk sensitive resonant inelastic soft x-ray scattering (SX-RIXS) excited with the circularly polarized light under an external magnetic field for the first time. The results under the V L-edge excitation have revealed the negligible partial density of states (PDOS) of the V 3d states around the Fermi energy as well as their rather localized character. Under the Mn L-edge excitation, on the other hand, the spectra are dominated by fluorescence with clear magnetic circular dichroism with noticeable excitation photon energy dependence. Compared with the theoretical prediction of the RIXS spectra based on the density-functional-theory band structure calculation, an itinerant, spin-dependent character of the Mn 3d states and decays of the Mn 2p core states are confirmed in consistence with the half-metallicity of the Mn 3d states.

We study anomalous Hall conductivity ($\sigma$$_{\rm AHC}$) and electronic band structures of Si-substituted Mn$_{2}$CoAl (Mn$_{2}$CoAl$_{1-x}$Si$_{x}$). First-principles calculations reveal that the electronic band structure is like a spin-gapless system even after substituting a quaternary element of Si for Al up to $x = $0.2 in Mn$_{2}$CoAl$_{1-x}$Si$_{x}$. This means that the Si substitution enables the Fermi level shift without largely changing the electronic structures in Mn$_{2}$CoAl. By using molecular beam epitaxy (MBE) techniques, Mn$_{2}$CoAl$_{1-x}$Si$_{x}$ epitaxial films can be grown, leading to the systematic control of $x$ (0 $\le$ $x$ $\le$ 0.3). In addition to the electrical conductivity, the values of $\sigma$$_{\rm AHC}$ for the Mn$_{2}$CoAl$_{1-x}$Si$_{x}$ films are similar to those in Mn$_{2}$CoAl films shown in previous reports. We note that a very small $\sigma$$_{\rm AHC}$ of $\sim$ 1.1 S/cm is obtained for $x =$ 0.225 and the sign of $\sigma$$_{\rm AHC}$ is changed from positive to negative at around $x =$ 0.25. We discuss the origin of the sign reversal of $\sigma$$_{\rm AHC}$ as a consequence of the Fermi level shift in MCA. Considering the presence of the structural disorder in the Mn$_{2}$CoAl$_{1-x}$Si$_{x}$ films, we can conclude that the small value and sign reversal of $\sigma$$_{\rm AHC}$ are not related to the characteristics of spin-gapless semiconductors., Comment: 6 pages, 5 figures, accepted for publication in Physical Review B

We have studied the electronic structure of ferrimagnetic Mn2VAl single crystal by means of soft X-ray absorption spectroscopy (XAS), X-ray absorption magnetic circular dichroism (XMCD) and resonant soft X-ray inelastic scattering (RIXS). We have successfully observed the XMCD signals for all constitute elements, supporting the spin polarized states at the Fermi level. The Mn $L_{2,3}$ XAS and XMCD spectra are reproduced by the spectral simulation based on density-functional theory (DFT), indicating itinerant character of the Mn 3d states. On the other hand, V $3d$ electrons are rather localized since the ionic model can qualitatively explain the V $L_{2,3}$ XAS and XMCD spectra as well as the local dd excitation revealed by V $L_3$ RIXS., Comment: 9 pages, 9 figures

We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on trigonal tellurium consisting of helical chains in the crystal. Through the band-structure mapping in the three-dimensional Brillouin zone, we found a definitive evidence for the band splitting originating from the chiral nature of crystal. A direct comparison of the band dispersion between the ARPES results and the first-principles band-structure calculations suggests the presence of Weyl nodes and tiny spin-polarized hole pockets around the H point. The present result opens a pathway toward studying the interplay among crystal symmetry, band structure, and exotic physical properties in chiral crystals., Comment: 6 pages, 3 figures

We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on noncentrosymmetric Weyl semimetal candidate NbP, and determined the electronic states of both Nb- and P-terminated surfaces corresponding to the "opposite" surfaces of a polar crystal. We revealed a drastic difference in the Fermi-surface topology between the opposite surfaces, whereas the Fermi arcs on both surfaces are likely terminated at the surface projection of the same bulk Weyl nodes. Comparison of the ARPES data with our first-principles band calculations suggests notable difference in electronic structure at the Nb-terminated surface between theory and experiment. The present result opens a platform for realizing exotic quantum phenomena arising from unusual surface properties of Weyl semimetals., Comment: 5 pages, 4 figures

We report on theoretical and experimental investigation of A-site driven ferroelectricity in ferromagnetic La2NiMnO6 thin films grown on SrTiO3 substrates. Structural analysis and density functional theory calculations show that epitaxial strain stretches the rhombohedral La2NiMnO6 crystal lattice along the [111]cubic direction, triggering a displacement of the A-site La ions in the double perovskite lattice. The lattice distortion and the A-site displacements stabilize a ferroelectric polar state in ferromagnetic La2NiMnO6 crystals. The ferroelectric state only appears in the rhombohedral La2NiMnO6 phase, where MnO6 and NiO6 octahedral tilting is inhibited by the 3-fold crystal symmetry. Electron localization mapping showed that covalent bonding with oxygen and 6s orbital lone pair formation are negligible in this material., Comment: in press

To realize a one-dimensional (1D) system with strong spin-orbit coupling is a big challenge in modern physics, since the electrons in such a system are predicted to exhibit exotic properties unexpected from the 2D or 3D counterparts, while it was difficult to realize genuine physical properties inherent to the 1D system. We demonstrate the first experimental result that directly determines the purely 1D band structure by performing spin-resolved angle-resolved photoemission spectroscopy of Bi islands on a silicon surface that contains a metallic 1D edge structure with unexpectedly large Rashba-type spin-orbit coupling suggestive of the nontopological nature. We have also found a sizable out-of-plane spin polarization of the 1D edge state, consistent with our first-principles band calculations. Our result provides a new platform to realize exotic quantum phenomena at the 1D edge of the strong spin-orbit-coupling systems.

In many cases, unconventional superconductivity are realized by suppressing another order parameter, such as charge density wave (CDW) or spin density wave (SDW). This suggests that the fluctuations of these order parameters play an important role in producing superconductivity. LaPt$_2$Ge$_2$ undergoes a tetragonal-to-monoclinic structural phase transition (SPT) at $T_{\rm s}$ = 394 K, accompanying a double period modulation in the $a$-axis direction, and superconducts at $T_{\rm c}$ = 0.41 K. We performed band calculations and found 2D (two dimensional)-like Fermi surfaces with partial nesting. A reduction in the density of states in the monoclinic phase was found in the calculation and confirmed by $^{195}$Pt-NMR. We suggest a CDW as a possible cause for the SPT. By changing the stoichiometry between Pt and Ge, we succeeded in suppressing $T_{\rm s}$ and increasing $T_{\rm c}$ in LaPt$_{2-x}$Ge$_{2+x}$. Comparison of $^{139}$La- and $^{195}$Pt-NMR data reveals moderate fluctuations associated with SPT. From $^{139}$La-NQR measurements at zero field, we found that an isotropic superconducting gap is realized in LaPt$_{2-x}$Ge$_{2+x}$ ($x$ = 0.20). We discuss the relationship between superconductivity and the SPT order/fluctuations., Comment: 8 pages, 11 figures

We report the de Haas-van Alphen (dHvA) oscillations and first-principle calculations for triangular antiferromagnet PdCrO2 showing unconventional anomalous Hall effect (AHE). The dHvA oscillations in PdCrO2 reveal presence of several 2 dimensional Fermi surfaces of smaller size than found in nonmagnetic PdCoO2. This evidences Fermi surface reconstruction due to the non-collinear 120 antiferromagnetic ordering of the localized Cr, consistent with the first principle calculations. The temperature dependence of dHvA oscillations shows no signature of additional modification of Cr spin structure below TN. Considering that the 120 helical ordering of Cr spins has a zero scalar spin chirality, our results suggest that PdCrO2 is a rare example of the metallic triangular antiferromagnets whose unconventional AHE can not be understood in terms of the spin chirality mechanism., Comment: 5 pages, 4 figures

We have successfully observed quantum oscillation (QO) for FeTe_{1-x}Se_{x}. QO measurements were performed using non-superconducting and superconducting thin crystals of FeTe_{0.65}Se_{0.35} fabricated by the scotch-tape method. We show that the Fermi surfaces (FS) of the non-superconducting crystal are in good agreement with the rigid band shift model based on electron doping by excess Fe while that of the superconducting crystal is in good agreement with the calculated FS with no shift. From the FS comparison of both crystals, we demonstrate the change of the cross-sectional area of the FS, suggesting that the suppression of the FS nesting with the vector Q_{s} = (\pi, \pi) due to excess Fe results in the disappearance of the superconductivity., Comment: 8 pages, 4 figures

We report an angle-resolved photoemission study of BaFe2As2, a parent compound of iron-based superconductors. Low-energy tunable excitation photons have allowed the first observation of a saddle-point singularity at the Z point, as well as the Gamma point. With antiferromagnetic ordering, both of these two van Hove singularities come down below the Fermi energy, leading to a topological change in the innermost Fermi surface around the kz axis from cylindrical to tear-shaped, as expected from first-principles calculation. These singularities may provide an additional instability for the Fermi surface of the superconductors derived from BaFe2As2., Comment: 14 pages, 4 figures, 1 table

Laser angle-resolved photoemission spectroscopy (ARPES) is employed to investigate the temperature (T) dependence of the electronic structure in BaFe2As2 across the magneto-structural transition at TN ~ 140 K. A drastic transformation in Fermi surface (FS) shape across TN is observed, as expected by first-principles band calculations. Polarization-dependent ARPES and band calculations consistently indicate that the observed FSs at kz ~ pi in the low-T antiferromagnetic (AF) state are dominated by the Fe3dzx orbital, leading to the two-fold electronic structure. These results indicate that magneto-structural transition in BaFe2As2 accompanies orbital-dependent modifications in the electronic structure., Comment: 13 pages, 4 figures. accepted by Physical Review Letters

The discoveries of superconductivity in the heavily-boron doped semiconductors diamond (C:B) in 2004 and silicon (Si:B) in 2006 have renewed the interest in the physics of the superconducting state of doped semiconductors. Recently, we discovered superconductivity in the closely related ''mixed'' system heavily boron-doped silcon carbide (SiC:B). Interestingly, the latter compound is a type-I superconductor whereas the two aforementioned materials are type-II. In this paper we present an extensive analysis of our recent specific-heat study, as well as the band structure and expected Fermi surfaces. We observe an apparent quadratic temperature dependence of the electronic specific heat in the superconducting state. Possible reasons are a nodal gap structure or a residual density of states due to non-superconducting parts of the sample. The basic superconducting parameters are estimated in a Ginzburg-Landau framework. We compare and discuss our results with those reported for C:B and Si:B. Finally, we comment on possible origins of the difference in the superconductivity of SiC:B compared to the two ''parent'' materials C:B and Si:B., Comment: 9 pages, 7 figures, 2 tables, submitted to Phys. Rev. B

We have investigated the superconductivity discovered in boron (B)-doped diamonds by means of 11B-NMR on heteroepitaxially grown (111) and (100) films. 11B-NMR spectra for all of the films are identified to arise from the substitutional B(1) site as single occupation and lower symmetric B(2) site substituted as boron+hydrogen(B+H) complex, respectively. A clear evidence is presented that the effective carriers introduced by B(1) substitution are responsible for the superconductivity, whereas the charge neutral B(2) sites does not offer the carriers effectively. The result is also corroborated by the density of states deduced by 1/T1T measurement, indicating that the evolution of superconductivity is driven by the effective carrier introduced by substitution at B(1) site., Comment: 4 pages, 6 figures, to be published in Phys. Rev. B (Brief report)

The effect of electron correlation (EC) on the electronic structure in MgB$_2$, AlB$_2$ and ZrB$_2$, is studied by examining the partial density of states (PDOS) of B-2$p\sigma$ and $p\pi$ orbitals using the polarization dependence of x-ray emission and absorption spectra. The discrepancies between observed and calculated PDOSs cannot be attributed to EC effects. The present results suggest that the EC effect is less than the experimental error ($\sim$ 0.2 eV), which indirectly supports a scenario that electron-phonon interaction plays an essential role in the occurrence of superconductivity., Comment: to appear in Phys. Rev. B