Orbital selective Fermi surface shifts and mechanism of high Tc_c superconductivity in correlated AFeAs (A=Li,Na)

Based on the dynamical mean field theory (DMFT) and angle resolved photoemission spectroscopy (ARPES), we have investigated the mechanism of high $T_c$ superconductivity in stoichiometric LiFeAs. The calculated spectrum is in excellent agreement with the observed ARPES measurement. The Fermi surface (FS) nesting, which is predicted in the conventional density functional theory method, is suppressed due to the orbital-dependent correlation effect with the DMFT method. We have shown that such marginal breakdown of the FS nesting is an essential condition to the spin-fluctuation mediated superconductivity, while the good FS nesting in NaFeAs induces a spin density wave ground state. Our results indicate that fully charge self-consistent description of the correlation effect is crucial in the description of the FS nesting-driven instabilities.Comment: 5 pages, 4 figures, supporting informatio

Experimental observation of hidden Berry curvature in inversion-symmetric bulk 2H-WSe2

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 spin state. These observed CD behaviors are what are expected from Berry curvature of a monolayer of WSe2. In order to see if CD-ARPES is indeed representative of hidden Berry curvature within a layer, we use tight binding analysis as well as density functional calculation to calculate the Berry curvature and local OAM of a monolayer WSe2. We find that measured CD-ARPES is approximately proportional to the calculated Berry curvature as well as local OAM, further supporting our interpretation.Comment: 6 pages, 3 figure

Observation of warping effects in the band and angular momentum structures of topological insulator Bi2Te3

We performed angle resolved photoemission (ARPES) experiments on Bi2Te3 with circularly polarized light. ARPES data show very strong circular dichroism, indicating existence of orbital angular momentum (OAM). Moreover, the alignment of OAM is found to have a strong binding energy dependence. Such energy dependence comes from a relatively strong band warping effect in Bi2Te3 compared to Bi2Se3. OAM close to Dirac point has an ideal chiral structure (sin ?) without out-of-plane component. Warping effect comes in as the binding energy decreases and circular dichroism along a constant energy contour can no longer be explained by a simple sin? function but requires a sin3? term. When the warping effect becomes even stronger near the Fermi energy, circular dichroism gains an additional sin6? term. Such behavior is found to be compatible with the theoretically predicted OAM structure

Electronic Structure, Surface Doping, and Optical Response in Epitaxial WSe2 Thin Films

High quality WSe2 films have been grown on bilayer graphene (BLG) with layer-by-layer control of thickness using molecular beam epitaxy (MBE). The combination of angle-resolved photoemission (ARPES), scanning tunneling microscopy/spectroscopy (STM/STS), and optical absorption measurements reveal the atomic and electronic structures evolution and optical response of WSe2/BLG. We observe that a bilayer of WSe2 is a direct bandgap semiconductor, when integrated in a BLG-based heterostructure, thus shifting the direct-indirect band gap crossover to trilayer WSe2. In the monolayer limit, WSe2 shows a spin-splitting of 475 meV in the valence band at the K point, the largest value observed among all the MX2 (M = Mo, W; X = S, Se) materials. The exciton binding energy of monolayer-WSe2/BLG is found to be 0.21 eV, a value that is orders of magnitude larger than that of conventional 3D semiconductors, yet small as compared to other 2D transition metal dichalcogennides (TMDCs) semiconductors. Finally, our finding regarding the overall modification of the electronic structure by an alkali metal surface electron doping opens a route to further control the electronic properties of TMDCs

Deep learning-based statistical noise reduction for multidimensional spectral data

In spectroscopic experiments, data acquisition in multi-dimensional phase space may require long acquisition time, owing to the large phase space volume to be covered. In such case, the limited time available for data acquisition can be a serious constraint for experiments in which multidimensional spectral data are acquired. Here, taking angle-resolved photoemission spectroscopy (ARPES) as an example, we demonstrate a denoising method that utilizes deep learning as an intelligent way to overcome the constraint. With readily available ARPES data and random generation of training data set, we successfully trained the denoising neural network without overfitting. The denoising neural network can remove the noise in the data while preserving its intrinsic information. We show that the denoising neural network allows us to perform similar level of second-derivative and line shape analysis on data taken with two orders of magnitude less acquisition time. The importance of our method lies in its applicability to any multidimensional spectral data that are susceptible to statistical noise.Comment: 8 pages, 8 figure

Quantum electron liquid and its possible phase transition

Purely quantum electron systems exhibit intriguing correlated electronic phases by virtue of quantum fluctuations in addition to electron-electron interactions. To realize such quantum electron systems, a key ingredient is dense electrons decoupled from other degrees of freedom. Here, we report the discovery of a pure quantum electron liquid, which spreads up to ~ 3 {\AA} in the vacuum on the surface of electride crystal. An extremely high electron density and its weak hybridisation with buried atomic orbitals evidence the quantum and pure nature of electrons, that exhibit a polarized liquid phase as demonstrated by our spin-dependent measurement. Further, upon enhancing the electron correlation strength, the dynamics of quantum electrons changes to that of non-Fermi liquid along with an anomalous band deformation, suggestive of a transition to a hexatic liquid crystal phase. Our findings cultivate the frontier of quantum electron systems, and serve as a platform for exploring correlated electronic phases in a pure fashion.Comment: 29 pages, 4 figures, 10 extended data figure

Spin and orbital angular momentum structure of Cu(111) and Au(111) surface states

We performed angle-resolved photoemission studies on Cu(111) and Au(111) surface states with circularly polarized light to investigate local orbital angular momentum (OAM) structures. Existence of OAM is confirmed, as predicted, to exist in systems with an inversion symmetry breaking. Cu(111) surface state bands are found to have chiral OAM in spite of very small spin-orbit coupling, consistent with the theoretical prediction. As for Au(111), we observe split bands for which OAM for the inner and outer bands are parallel, unlike the Bi2Se3 case. We also performed first-principles calculations and the results are found to be consistent with experimental results. Moreover, the majority of OAM is found to have d-orbital origin while a small contribution comes from p orbitals. An effective Hamiltonian that incorporates the role of OAM is derived and is used to extract the spin and OAM structures. We discuss the evolution of angular momentum structures from a pure OAM system to a strongly spin-orbit-entangled state. We predict that the transition occurs through a reversal of the OAM direction at a k point in the inner band if the system has a proper spin-orbit coupling strength

Hole‐Carrier‐Dominant Transport in 2D Single‐Crystal Copper

In 2D noble metals like copper, the carrier scattering at grain boundaries has obscured the intrinsic nature of electronic transport. However, it is demonstrated that the intrinsic nature of transport by hole carriers in 2D copper can be revealed by growing thin films without grain boundaries. As even a slight deviation from the twin boundary is perceived as grain boundaries by electrons, it is only through the thorough elimination of grain boundaries that the hidden hole-like attribute of 2D single-crystal copper can be unmasked. Two types of Fermi surfaces, a large hexagonal Fermi surface centered at the zone center and the triangular Fermi surface around the zone corner, tightly matching to the calculated Fermi surface topology, confirmed by angle-resolved photoemission spectroscopy (ARPES) measurements and vivid nonlinear Hall effects of the 2D single-crystal copper account for the presence of hole carriers experimentally. This breakthrough suggests the potential to manipulate the majority carrier polarity in metals by means of grain boundary engineering in a 2D geometry