Angle-resolved photoemission spectroscopy study of the (101) surface of the Kondo insulator CeNiSn

The electronic structure of CeNiSn, which is considered a possible topological Kondo insulator, has been investigated by employing synchrotron radiation excited angle-resolved photoemission spectroscopy (ARPES). We have found that the easy cleavage plane in CeNiSn is (101), for which we have investigated the Fermi surface (FS) and band structures. The measured FS and ARPES for the (101) plane are described well by the calculated FS and band structures, obtained from the DFT calculations. The measured ARPES bands and photon energy map show that the metallic states crossing the Fermi level have the 3D nature, casting a negative suspicion for the existence of the topological surface states of the 2D character in CeNiSn. The Ce 4f Kondo resonance peak is observed in Ce 4d → 4f resonant photoemission spectroscopy, suggesting the importance of the Ce 4f electrons in determining the temperature-dependent topological electronic structure of CeNiSn.     

First principles simulations of energy and polarization dependent angle-resolved photoemission spectra of Bi2212

We discuss first-principles simulations of angle-resolved photoemission (ARPES) intensity in Bi2212 where the photoexcitation process is modeled realistically by taking into account the full crystal wavefunctions of the initial and final states in the presence of the surface. Some recent results aimed at understanding the effects of the energy and polarization dependencies of the ARPES matrix element are presented. The nature of the Fermi surface (FS) maps obtained via ARPES by holding the initial state energy fixed at the Fermi energy (E_F) is clarified. The theoretically predicted FS map at 21 eV photon energy displays a remarkable level of agreement with the corresponding ARPES spectrum taken over a large area of the (k_x,k_y) plane. Our analysis shows how the ARPES matrix element can help disentangle closely spaced energy levels and FS sheets and highlight different aspects of the electronic spectrum in complex materials under various experimental conditions.     

Bridging charge-orbital ordering and Fermi surface instabilities in half-doped single-layered manganite La(0.5)Sr(1.5)MnO₄

The single-layered half-doped manganite La(0.5)Sr(1.5)MnO? (LSMO), was studied by means of the angle-resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy (STM), and resistivity measurements. STM revealed a smooth reconstruction-free surface; the density of states, extracted from photoemission and tunneling spectroscopy, is in agreement with transport measurements. The derived from ARPES Fermi surface (FS) nesting properties correspond to the known pattern of the charge-orbital ordering (COO), which implies that FS instability is related to the propensity to form a COO state in LSMO.     

Fermi surface and magnetic structure of TmGa3

We carry out measurements of the two-dimensional angular correlation of the positron annihilation radiation (2D-ACAR) to reconstruct the complex multisheet Fermi surface (FS) of the cubic rare-earth (RE) compound TmGa3. We discover a correlation between the antiferromagnetic structures and the nesting of the FS along the [110] directions. Moreover, we propose methods to estimate the density of states at the Fermi energy ( EF) and the electronic contribution to the specific heat [we obtain N(EF) = 13.6 states/Ryd cell and gamma = 2.4 mJ/mole K2].     

Fermi surface of Bi2Sr2CaCu2O8

We study the Fermi surface of Bi2Sr2CaCu2O8 using angle resolved photoemission spectroscopy (ARPES) with a momentum resolution of approximately 0.01 of the Brillouin zone. We show that, contrary to recent suggestions, the ARPES derived Fermi surface is a large hole barrel centered at (pi,pi), independent of the incident photon energy. We caution that the photon energy and k dependence of the matrix elements, if not properly accounted for, can lead to misinterpretation of ARPES intensities.     

Matrix element and strong electron correlation effects in ARPES from cuprates

We discuss selected results from our recent work concerning the angle-resolved photoemission (ARPES) spectra from the cuprates. Our focus is on developing an understanding of the effects of the ARPES matrix element and those of strong electron correlations in analyzing photointensities. With simulations on Bi₂Sr₂CaCu₂O_8+δ (Bi2212), we show that the ARPES matrix element possesses remarkable selectivity properties, such that by tuning the photon energy and polarization, emission from the bonding or the antibonding states can be enhanced. Moreover, at low photon energies (below 25 eV), the Fermi surface (FS) emission is dominated by transitions from just the O-atoms in the CuO₂ planes. In connection with strong correlation effects, we consider the evolution with doping of the FS of Nd_2−xCe_xCuO_4±δ (NCCO) in terms of the t−t′−U Hubbard model Hamiltonian. We thus delineate how the FS evolves on electron doping from the insulating state in NCCO. The Mott pseudogap is found to collapse around optimal doping suggesting the existence of an associated quantum critical point.     

Study on the Fermi surface and the spin-dependent momentum space density of ferromagnetic Gd by positron annihilation experiments

The Fermi surface (FS) and spin-dependent momentum space density distribution of ferromagnetic Gd was studied via longitudinally polarised positrons. The measurements were performed using a 2D angular correlation of the annihilation radiation experiments with the reversal magnetic field direction parallel and anti-parallel to the polarisation direction of the positron. It was found that the minority-spin states were concentrated in the basal plane and majority-spin states were concentrated around the A, L and H points. The analysis confirmed that the main contributions to the FS of Gd were influenced by the mixing of both the 5d–6s and the 4f–5d hybrid bands. The general layout of this FS was observed as two hole-like surfaces running along the [ΓA] axis and one electron-like surface running along the [MK] direction. In general, the experimental results showed good agreement with earlier investigations.     

Asphericity in the Fermi Surface and Fermi Energy of Na-K, Na-Rb and Na-Cs Binary Alloys

Detailed theoretical investigations into asphericity in the Fermi surface (FS) and Fermi energy (FE) ofNa1_xKx, Na1_xRbx, and Na1_xCsx binary solid solutions are carried out for the first time. The alloying behavior ofthe K, Rb, and Cs with the Na generates the Fermi surface distortion (FSD) of bce simple metals. The FS of Na-K,Na-Rb, and Na-Cs solid solution is a distorted sphere with the largest deviation along [110]. We have found that theimpact of local-field correction function on FSD is maximun at [100] point and minimum at [111] point. The exchangeand correlation effect is found to suppress the value of FE.     

Direct photoemission spectroscopy and electronic properties of in situ grown,strained high-Tc and related oxide films

We have optimized laser ablation thin film deposition and transfer procedures within synchrotron vault, specifically to perform angle-integrated and angle-resolved photoemission spectroscopy (ARPES) on high-T_c and related films without cleaving the samples. However, the chain-containing phases like YBCO-123 easily loose surface oxygen and do not exhibit stable Fermi edge, hence are not suitable for ARPES studies. Direct in situ ARPES studies on strained LSCO-214 films show striking strain effects on the electronic structure. The Fermi surface (FS) of LSCO evolves with doping, yet changes even more significantly with strain. The strain changes the FS topology from hole-like to electron-like, and causes band dispersion along k_x and the Fermi level crossing before the Brillouin zone boundary, in sharp contrast to the ‘usual’ flat band remaining ≈30 meV below E_F measured on unstrained samples. The associated reduction of the density of states does not diminish the superconductivity; T_c is enhanced in all our strained samples. Implications for the evolving high-T_c theory and studies of nano-engineered film heterostructures are briefly discussed.     

Chiral orbital-angular momentum in the surface states of Bi2Se3

We performed angle-resolved photoemission (ARPES) experiments with circularly polarized light and first-principles density functional calculation with spin-orbit coupling to study surface states of a topological insulator Bi2Se3. We observed circular dichroism (CD) as large as 30% in the ARPES data with upper and lower Dirac cones showing opposite signs in CD. The observed CD is attributed to the existence of local orbital-angular momentum (OAM). First-principles calculation shows that OAM in the surface states is significant and is locked to the electron momentum in the opposite direction to the spin, forming chiral OAM states. Our finding opens a new possibility for strong light-induced spin-polarized current in surface states. We also provide a proof for local OAM origin of the CD in ARPES.     

Properties of hydrogen terminated diamond as a photocathode

Electron emission from the negative electron affinity (NEA) surface of hydrogen terminated, boron doped diamond in the [100] orientation is investigated using angle resolved photoemission spectroscopy (ARPES). ARPES measurements using 16 eV synchrotron and 6 eV laser light are compared and found to show a catastrophic failure of the sudden approximation. While the high energy photoemission is found to yield little information regarding the NEA, low energy laser ARPES reveals for the first time that the NEA results from a novel Franck-Condon mechanism coupling electrons in the conduction band to the vacuum. The result opens the door to the development of a new class of NEA electron emitter based on this effect.     

Determination of the surface states from the ultrafast electronic states in a thermoelectric material

We reveal the electronic structure in Yb Cd₂Sb₂,a thermoelectric material,by angle-resolved photoemission spectroscopy(ARPES)and time-resolved ARPES(tr ARPES).Specifically,three bulk bands at the vicinity of the Fermi level are evidenced near the Brillouin zone center,consistent with the density functional theory(DFT)calculation.It is interesting that the spin-unpolarized bulk bands respond unexpectedly to right-and left-handed circularly polarized probe.In addition,a hole band of surface states,which is not sensitive to the polarization of the probe beam and is not expected from the DFT calculation,is identified.We find that the non-equilibrium quasiparticle recovery rate is much smaller in the surface states than that of the bulk states.Our results demonstrate that the surface states can be distinguished from the bulk ones from a view of time scale in the nonequilibrium physics.     

Insight into the f-derived Fermi surface of the heavy-fermion compound YbRh2Si2

Angle-resolved photoelectron spectroscopy (ARPES) was used to study the Fermi surface of the heavy-fermion system YbRh(2)Si(2) at a temperature of about 10 K, i.e., a factor of 2 below the Kondo energy scale. We observed sharp structures with a well-defined topology, which were analyzed by comparing with results of band-structure calculations based on the local-density approximation (LDA). The observed bulk Fermi surface presents strong similarities with that expected for a trivalent Yb state, but is slightly larger, has a strong Yb-4f character, and deviates from the LDA results by a larger region without states around the Γ point. These properties are qualitatively explained in the framework of a simple f-d hybridization model. Our analysis highlights the importance of taking into account surface states and doing an appropriate projection along k(z) when comparing ARPES data with results from theoretical calculations.     

HREM of the [111] surfaces of iron oxide nanoparticles

Mixed phase Fe3O4-gamma-Fe2O3 (magnetite-maghemite) iron oxide nanoparticles have been fabricated by colloidal routes. HRTEM/HRSTEM images of the nanoparticles show the presence of [111] facets that terminate with enhanced contrast, which is shown to be caused by the presence of additional cations at the edges of the nanoparticles. HRTEM images were taken on a FEI CM200 FEGTEM, a JEOL 3100 with a LaB6 source, and a double aberration corrected JEOL-JEM 2200FS FEGTEM. The enhanced contrast effect was observed on the [111] surface atomic layers resolved using each machine. HRSTEM images, taken on an aberration corrected STEM, resolved enhanced contrast at specific surface sites. Exit wave reconstruction was also carried out on focal series taken on a double aberration corrected JEOL-JEM 2200FS and showed similar highly resolved enhanced contrast at specific surface cation sites. It is apparent that additional cations are occupying the [111] terminating layers of these nanoparticle surfaces. The use of different microscopes and techniques in this paper provides strong evidence that the enhanced contrast is a real effect and not an effect caused by microscope aberrations.     

Silicon quantum wires on Ag(1 1 0): Fermi surface and quantum well states

One-dimensional Si quantum wires have been grown on silver single crystals upon deposition of ∼0.25 monolayer of Si on Ag(1 1 0) surfaces. Scanning tunneling microscopy (STM) clearly shows parallel 1D Si chains along the [−1 1 0] Ag crystallographic direction. Low Energy Electron Diffraction (LEED) confirms the massively parallel assembly of these selforganized Nanowires (NWs). We have characterized these nano-objects by measuring the dispersion of the NWs valence band at room temperature using Angle-Resolved PhotoEmission Spectroscopy (ARPES). Also, the Fermi Surface (FS) of the Ag(1 1 0) substrate has been mapped before and after the silicon deposition, trying to put in evidence the metallic or semiconductor character of the NWs silicon's states close to the Fermi level. Our results show the existence of well-defined quantum states associated to the silicon super-structure. Both LEED and ARUPS results confirm that the NWs have typical 1D features, however their metallic or semiconductor character could not be confirmed.     

Electronic structures of RTe2 (R = La,Ce): a clue to the pressure-induced superconductivity in CeTe1.82

Electronic structures of RTe2 (R=La,Ce) have been investigated by using the local spin density approximation (LSDA) and the LSDA + U (U: on-site Coulomb interaction) band methods. Both LaTe2 and CeTe2 show the very similar Fermi surface nesting features along the [100] direction, which drive the charge-density wave (CDW) instability in the Te(1) sheets. The contribution near E(F) from Ce 4f states is negligible in agreement with the measured ARPES spectra. In the semimetallic CDW-distorted RTe2, both Te vacancy and pressure induce the charge transfer from Te(1) 5p to R 5d states, producing the enhanced density of states at E(F). We suggest that these increased self-doped Te(1) 5p hole carriers are responsible for the pressure-induced superconductivity in nonstoichiometric CeTe1.82.     

Bulk vs. surface effects in ARPES experiment from La2/3Sr1/3MnO3 thin films

Experiments directly probing the electronic states using angle-resolved photoemission (ARPES) were carried out on La_2/3Sr_1/3MnO₃ in order to elucidate its electronic properties. ARPES is a surface sensitive technique where bulk and surface states are usually both present. We present high-resolution ARPES studies in the (1 0 0) and (1 1 0) mirror planes and compare them with simulated ARPES based on GGA + U band structure calculations. In the (1 1 0) mirror plane we identify surface umklapps accounted by surface reconstruction which couple to bulk electronic states. As predicted by the simulated spectra there is additional spectral intensity at the Fermi level detected in ARPES data due to k_⊥-broadening effects in the photoemission final states. We demonstrate that this additional spectral intensity is a convenient spectral marker for determination of the k_F Fermi momenta.     

Giant alkali-metal-induced lattice relaxation as the driving force of the insulating phase of alkali-metal/Si(111):B

Ab initio density-functional theory calculations, photoemission spectroscopy (PES), scanning tunneling microscopy, and spectroscopy (STM, STS) have been used to solve the 2sqrt[3]×2sqrt[3]R30 surface reconstruction observed previously by LEED on 0.5 ML K/Si:B. A large K-induced vertical lattice relaxation occurring only for 3/4 of Si adatoms is shown to quantitatively explain both the chemical shift of 1.14 eV and the ratio 1/3 measured on the two distinct B 1s core levels. A gap is observed between valence and conduction surface bands by ARPES and STS which is shown to have mainly a Si-B character. Finally, the calculated STM images agree with our experimental results. This work solves the controversy about the origin of the insulating ground state of alkali-metal/Si(111):B semiconducting interfaces which were believed previously to be related to many-body effects.     

Surface electronic structure of single-domain Si( 001) 2 × 2-Al: an angle-resolved photoelectron spectroscopy study using synchrotron radiation

The electronic structure of a single-domain Si(001)2 × 2-Al surface has been studied by angle-resolved photoelectron spectroscopy (ARPES) using synchrotron radiation. Through detailed ARPES measurements along various symmetry axes of the surface Brillouin zone, the existence and dispersions of five surface states are identified, one at binding energies a little less than 1 eV and the others between 1 and 2 eV. The origin of the surface states are discussed in terms of the Al-dimer structures on Si(001).     

The study on the surface state of CdZnTe (1 1 0) surface

Angle-resolved photoemission spectroscopy (ARPES) was used to characterize the surface state of clean CdZnTe (1 1 0) surface. The surface state of CdZnTe with the peak at 0.9 eV below the Fermi level is identified. Meanwhile, Photoluminescence (PL) spectrum confirmed that there existed a surface trap state which introduced a deep-level peak at 1.510 eV. The surface trap states can be decreased by aging in dry-air. The surface leakage current was measured also by I-V measurements. After aging, the leakage current was decreased remarkably, which suggested that the aging treatment is an effective method to decrease the surface trap state.