arXiv subjects

Kozo Mukai

Publications and source records attributed to Kozo Mukai.

3 recordsLinked to original sources

arXiv2022

Termination of Graphene Edges Created by Hydrogen and Deuterium Plasmas

Edge engineering is important for both fundamental research and applications as the device size decreases to nanometer scale. This is especially the case for graphene because a graphene edge shows totally different electronic properties depending on the atomic structure and the termination. It has recently been shown that an atomically precise zigzag edge can be obtained by etching graphene and graphite using hydrogen (H) plasma. However, edge termination had not been studied directly. In this study, termination of edges created by H-plasma is studied by high-resolution electron energy loss spectroscopy (HREELS) to show that the edge is $\mathrm{sp}^{2}$ bonded and the edge carbon atom is terminated by only one H atom. This suggests that an ideal zigzag edge, which is not only atomically precise but also $\mathrm{sp}^{2}$ bonding, can be obtained by H-plasma etching. Etching of the graphite surface with plasma of a different isotope, deuterium (D), is also studied by scanning tunneling microscopy (STM) to show that D-plasma anisotropically etches graphite less efficiently, although it can make defects more efficiently, than H-plasma.

cond-mat.mes-hall↗

arXiv2020

Emergence of Nearly Flat Bands through an Embedded Kagome Lattice in an Epitaxial Two-dimensional Ge Layer on ZrB2(0001)

Ge atoms segregating on zirconium diboride thin films grown on Ge(111) were found to crystallize into a two-dimensional bitriangular structure which was recently predicted to be a flat band material. Angle-resolved photoemission experiments together with theoretical calculations verified the existence of a nearly flat band in spite of non-negligible in-plane long-range hopping and interactions with the substrate. This provides the first experimental evidence that a flat band can emerge from the electronic coupling between atoms and not from the geometry of the atomic structure.

cond-mat.str-el↗

arXiv2017

Single-particle excitation of core states in epitaxial silicene

Recent studies of core-level X-ray photoelectron spectroscopy (XPS) spectra of silicene on ZrB$_2$(0001) were found to be inconsistent with the density of states (DOS) of a planar-like structure that has been proposed as the ground state by density functional theory (DFT). To resolve the discrepancy, a reexamination of the XPS spectra and direct theoretical access of accurate single-particle excitation energies are desired. By analyzing the XPS data using symmetric Voigt functions, different binding energies and its sequence of Si $2p$ orbitals can be assigned from previously reported ones where asymmetric pseudo-Voigt functions are adopted. Theoretically, we have adopted an approach developed very recently, which follows the sophisticated $Δ$ self-consistent field ($Δ$SCF) methods, to study the single-particle excitation of core states. In the calculations, each single-particle energy and the renormalized core-hole charge density are calculated straightforwardly via two SCF calculations. By comparing the results, the theoretical core-level absolute binding energies including the splitting due to spin-orbit coupling are in good agreement with the observed high-resolution XPS spectra. The good agreement not only resolves the puzzling discrepancy between experiment and theory (DOS) but also advocates the success of DFT in describing many-body interactions of electrons at the surface.

cond-mat.mtrl-sci↗