Clément Didiot

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.

Doping nature of native defects in 1T-TiSe2.

The transition-metal dichalcogenide 1T-TiSe2 is a quasi-two-dimensional layered material with a charge density wave (CDW) transition temperature of T(CDW) ≈ 200 K. Self-doping effects for crystals grown at different temperatures introduce structural defects, modify the temperature-dependent resistivity, and strongly perturbate the CDW phase. Here, we study the structural and doping nature of such native defects combining scanning tunneling microscopy or spectroscopy and ab initio calculations. The dominant native single atom dopants we identify in our single crystals are intercalated Ti atoms, Se vacancies, and Se substitutions by residual iodine and oxygen.

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.

Scanning tunneling microscopy of the charge density wave in 1T-TiSe2 in the presence of single atom defects

We present a detailed low-temperature scanning tunneling microscopy (STM) study of the commensurate charge density wave (CDW) in 1T-TiSe2 in the presence of single atom defects. We find no significant modification of the CDW lattice in single crystals with native defect concentrations where some bulk probes already measure substantial reductions in the CDW phase transition signature. A systematic analysis of STM micrographs combined with density functional theory modeling of atomic defect patterns indicate that the observed CDW modulation lies in the Se surface layer. The defect patterns clearly show there are no 2H-polytype inclusions in the CDW phase, as previously found at room temperature [A. N. Titov et al., Phys. Solid State 53, 1073 (2011)]. They further provide an alternative explanation for the chiral Friedel oscillations recently reported in this compound [J. Ishioka et al., Phys. Rev. B 84, 245125 (2011)].

Short-range phase coherence and origin of the 1T-TiSe2 charge density wave

The impact of variable Ti self-doping on the 1T−TiSe2 charge density wave (CDW) is studied by scanning tunneling microscopy. Supported by density functional theory, we show that agglomeration of intercalated-Ti atoms acts as preferential nucleation centers for the CDW that breaks up in phase-shifted CDW domains whose size directly depends on the intercalated-Ti concentration and which are separated by atomically sharp phase boundaries. The close relationship between the diminution of the CDW domain size and the disappearance of the anomalous peak in the temperature-dependent resistivity allows to draw a coherent picture of the 1T−TiSe2 CDW phase transition and its relation to excitons.

Elementary structural building blocks encountered in silicon surface reconstructions

Driven by the reduction of dangling bonds and the minimization of surface stress, reconstruction of silicon surfaces leads to a striking diversity of outcomes. Despite this variety even very elaborate structures are generally comprised of a small number of structural building blocks. We here identify important elementary building blocks and discuss their integration into the structural models as well as their impact on the electronic structure of the surface.

Excited states at interfaces of a metal-supported ultrathin oxide film

We report layer-resolved measurements of the \textit{unoccupied} electronic structure of ultrathin MgO films grown on Ag(001). The metal-induced gap states at the metal/oxide interface, the oxide band gap as well as a surface core exciton involving an image-potential state of the vacuum are revealed through resonant Auger spectroscopy of the Mg

New Structural Model for the Si ( 331 ) − ( 12 × 1 ) Surface Reconstruction

KL_{23}L_{23}

Scanning tunneling microscopy at multiple voltage biases of stable “ring-like” Ag clusters on Si(111)–(7 × 7)

Auger transition. Our results demonstrate how to obtain new insights on \textit{empty} states at interfaces of metal-supported ultrathin oxide films.