Eike F. Schwier

Monolayer PtSe2, a New Semiconducting Transition-Metal-Dichalcogenide, Epitaxially Grown by Direct Selenization of Pt

Single-layer transition-metal dichalcogenides (TMDs) receive significant attention due to their intriguing physical properties for both fundamental research and potential applications in electronics, optoelectronics, spintronics, catalysis, and so on. Here, we demonstrate the epitaxial growth of high-quality single-crystal, monolayer platinum diselenide (PtSe2), a new member of the layered TMDs family, by a single step of direct selenization of a Pt(111) substrate. A combination of atomic-resolution experimental characterizations and first-principle theoretic calculations reveals the atomic structure of the monolayer PtSe2/Pt(111). Angle-resolved photoemission spectroscopy measurements confirm for the first time the semiconducting electronic structure of monolayer PtSe2 (in contrast to its semimetallic bulk counterpart). The photocatalytic activity of monolayer PtSe2 film is evaluated by a methylene-blue photodegradation experiment, demonstrating its practical application as a promising photocatalyst. Moreover, circular polarization calculations predict that monolayer PtSe2 has also potential applications in valleytronics.

Spontaneous exciton condensation in 1T-TiSe2: BCS-like approach

Recently we found strong evidence in favor of a BCS-like condensation of excitons in 1T-TiSe2 [Cercellier , Phys. Rev. Lett. 99, 146403 (2007)]. Theoretical photoemission intensity maps have been generated by the spectral function calculated within the exciton condensate phase model and set against experimental angle-resolved photoemission spectroscopy data. The scope of this paper is to present the detailed calculations in the framework of this model. They represent an extension of the original excitonic insulator phase model of Jerome [Phys. Rev. 158, 462 (1967)] to three dimensional and anisotropic band dispersions. A detailed analysis of its properties and comparison with experiment is presented. Finally, the disagreement with density-functional theory is discussed.

Temperature dependent photoemission on 1T-TiSe2: Interpretation within the exciton condensate phase model

The charge-density-wave phase transition of 1T-TiSe2 is studied by angle-resolved photoemission over a wide temperature range. An important chemical-potential shift which strongly evolves with temperature is evidenced. In the framework of the exciton condensate phase, the detailed temperature dependence of the associated order parameter is extracted. Having a mean-field-like behavior at low temperature, it exhibits a nonzero value above the transition, interpreted as the signature of strong excitonic fluctuations, reminiscent of the pseudogap phase of high-temperature superconductors. Integrated intensity around the Fermi level is found to display a trend similar to the measured resistivity and is discussed within the model.

Occupied and unoccupied electronic structure of Na doped MoS2(0001)

The influence of sodium on the band structure of MoS2(0001) and the comparison of the experimental band dispersion with density functional theory show excellent agreement for the occupied states (angle-resolved photoemission) and qualitative agreement for the unoccupied states (inverse photoemission spectroscopy). Na-adsorption leads to charge transfer to the MoS2 surface causing an effect similar to n-type doping of a semiconductor. The MoS2 occupied valence band structure shifts rigidly to greater binding with little change in the occupied state dispersion. Likewise, the unoccupied states shift downward, approaching the Fermi level, yet the amount of the shift for the unoccupied states is greater than that of the occupied states, effectively causing a narrowing of the MoS2 bandgap.

Probing the exciton condensate phase in 1T-TiSe2 with photoemission

We present recent results obtained using angle-resolved photoemission spectroscopy performed on 1T-TiSe2. Emphasis is put on the peculiarity of the bandstructure of TiSe2 compared to other transition metal dichalcogenides, which suggests that this system is an excellent candidate for the realization of the excitonic insulator phase. This exotic phase is discussed in relation to the BCS theory, and its spectroscopic signature is computed via a model adapted to the particular bandstructure of 1T-TiSe2. A comparison between photoemission intensity maps calculated with the spectral function derived for this model and experimental results is shown, giving strong support for the exciton condensate phase as the origin of the charge density wave transition observed in 1T-TiSe2. The temperature-dependent order parameter characterizing the exciton condensate phase is discussed, both on a theoretical and an experimental basis, as well as the chemical potential shift occurring in this system. Finally, the transport properties of 1T-TiSe2 are analyzed in the light of the photoemission results.

Phonon-Dressed Two-Dimensional Carriers on the ZnO Surface

Two-dimensional (2D) metallic states formed on the

Structural and electronic properties of manganese-doped Bi2Te3 epitaxial layers

\mathrm{ZnO}(10\overline{1}0)

Monolayer charge-neutral graphene on platinum with extremely weak electron-phonon coupling

surface by hydrogen adsorption have been investigated using angle-resolved photoelectron spectroscopy (ARPES). The observed metallic state is characterized by a peak-dip-hump structure at just below the Fermi level and a long tail structure extending up to 600 meV in binding energy. The peak and hump positions are separated by about 70 meV, a value close to the excitation energy of longitudinal optical (LO) phonons. Spectral functions formulated on the basis of the 2D electron-phonon coupling well reproduce the ARPES intensity distribution of the metallic states. This spectral analysis suggests that the 2D electrons accumulated on the ZnO surface couple to the LO phonons and that this coupling is the origin of the anomalous long tail. Our results indicate that the 2D electrons at the ZnO surface are described as the electron liquid model.

Symmetry-resolved surface-derived electronic structure of MoS2(0 0 0 1)

We show that in manganese-doped topological insulator bismuth telluride layers, Mn atoms are incorporated predominantly as interstitials in the van der Waals gaps between the quintuple layers and not substitutionally on Bi sites within the quintuple layers. The structural properties of epitaxial layers with Mn concentration of up to 13% are studied by high-resolution x-ray diffraction, evidencing a shrinking of both the in-plane and out-of plane lattice parameters with increasing Mn content. Ferromagnetism sets in for Mn contents around 3% and the Curie temperatures rises up to 15 K for a Mn concentration of 9%. The easy magnetization axis is along the c-axis perpendicular to the (0001) epilayer plane. Angle-resolved photoemission spectroscopy reveals that the Fermi level is situated in the conduction band and no evidence for a gap opening at the topological surface state with the Dirac cone dispersion is found within the experimental resolution at temperatures close to the Curie temperature. From the detailed analysis of the extended x-ray absorption fine-structure experiments (EXAFS) performed at the MnK-edge, we demonstrate that the Mn atoms occupy interstitial positions within the van der Waals gap and are surrounded octahedrally by Te atoms of the adjacent quintuple layers.

Elementary structural building blocks encountered in silicon surface reconstructions

Epitaxial growth of graphene on transition metal substrates is an important route for obtaining large scale graphene. However, the interaction between graphene and the substrate often leads to multiple orientations, distorted graphene band structure, large doping, and strong electron-phonon coupling. Here we report the growth of monolayer graphene with high crystalline quality on Pt(111) substrate by using a very low concentration of an internal carbon source with high annealing temperature. The controlled growth leads to electronically decoupled graphene: it is nearly charge neutral and has extremely weak electron-phonon coupling (coupling strength