相关论文: Surface Phase Transitions Induced by Electron Medi…
Organic adlayers on inorganic substrates often contain adatoms, which can be incorporated within the adsorbed molecular species, forming two-dimensional metal-organic frameworks at the substrate surface. The interplay between native adatoms…
Photoinduced phase transitions and charge dynamics in the interacting Dirac-electron system with a charge-ordered ground state are theoretically studied by taking an organic salt $\alpha$-(BEDT-TTF)$_2$I$_3$. By analysing the extended…
The ground state of Sn/Si(111) and Sn/Ge(111) surface $\alpha$-phases is reexamined theoretically, based on $ab-initio$ calculations where correlations are approximately included through the orbital dependence of the Coulomb interaction (in…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
The shift in Aharanov-Bohm electron-interference fringe positions has been previously derived as resulting from phase differences induced by the magnetic vector potential, without being clear on the physical mechanism behind it. In this…
Silicon exhibits several metastable allotropes which recently attracted attention in the quest for materials with superior (e.g. optical) properties, compatible with Si technology. In this work we shed light on the atomic-scale mechanisms…
The variation with energy of the total cross section for elastic electron scattering from atoms of several elements is caused primarily by shape resonances corresponding to the formation of temporary negative ions. It is shown that such…
Recent studies indicated that contamination by adatoms on the surface ion trap can generate contact potential, leading to fluctuations in patch potential. By investigating contamination induced by surface adatoms during a loading process, a…
The electronic configurations of Fe, Co, Ni, and Cu adatoms on graphene and graphite have been studied by x-ray magnetic circular dichroism and charge transfer multiplet theory. A delicate interplay between long-range interactions and local…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
The electrochemical reactions of solid oxide fuel cells occur in the region where gas-phase species, electrode, and electrolyte coincide. When the electrode is an ionic insulator and the electrolyte is an electronic insulator, this `triple…
It is observed that low-lying transitions of an interstitial hydrogen adatom on a metallic lattice correspond classically to dipoles oscillating at frequencies where band electrons typically have a low electromagnetic absorption. Such…
The two-dimensional electron gas found at the surface of SrTiO$_3$ and related interfaces has attracted significant attention as a promising basis for oxide electronics. In order to utilize its full potential, the response of this 2DEG to…
When a foreign atom is placed on a surface of a metal, the surrounding sea of electrons responds screening the additional charge leading to oscillations or ripples. On surfaces, those electrons are sometimes confined to two-dimensional…
We have constructed a general theory describing the topological quantum phase transitions in 3D systems with broken inversion symmetry. While the consideration of the system's codimension generally predicts the appearance of a stable…
We show that the nonlinear optical response reflects sensitively the electronic structure of transition-metal surfaces and interfaces. $d$ and $s$ electrons may contribute rather differently to the second harmonic generation (SHG) signal.…
Distortions of the $\sqrt3\times\sqrt3$ Sn/Ge(111) and Sn/Si(111) surfaces are shown to reflect a disproportionation of an integer pseudocharge, $Q$, related to the surface band occupancy. A novel understanding of the $(3\times3)$-1U (``1…
Using X-ray absorption spectroscopy (XAS), we studied the local structure in LaMnO3 under applied pressure across and well above the insulator to metal (IM) transition. A hysteretic behavior points to the coexistence of two phases within a…
Sodium, magnesium and aluminum adatoms, which, respectively, possess one, two and three valence electrons in terms of 3s, $3s^2$, and ($3s^2$, 3p) orbitals, are very suitable for helping us understand the adsorption-induced diverse…
Quantum anomalous Hall (QAH) effect generates quantized electric charge Hall conductance without external magnetic field. It requires both nontrivial band topology and time-reversal symmetry (TRS) breaking. In most cases, one could break…