85 citations · 339 across the 15 of their papers we have counts for
17 papers
Disorder-Mediated Magnetism in Transition-Metal Dichalcogenide Monolayers: XS and XSe (X = Ti, V, Co, Mo, and Ru)
Chi-Cheng Lee, Yukiko Yamada-Takamura, Taisuke Ozaki
Magnetism in transition-metal dichalcogenide monolayers has attracted considerable attention, yet its nature remains elusive, particularly in monolayer 1T-VSe. Our first-princi…
One-Dimensional Electronic States in a Moiré Superlattice of Twisted Bilayer WTe2
Takuto Kawakami, Hayato Tateish, Daiki Yoshida +10
One-dimensional (1D) moiré superlattices provide a new route to engineering reduced-dimensional electronic states in van der Waals materials, yet their electronic structure and mic…
Stabilizing charge density wave by mixing transition metal elements in monolayer XS with trigonal-prismatic coordination
Chi-Cheng Lee, Yukiko Yamada-Takamura
The electronic structure and phonon dispersion of XS with X = Co, Tc, Ti, Ru, Nb, and Rh in the monolayer MoS structure with trigonal-prismatic coordination are studied fro…
Atomically-thin metallic Si and Ge allotropes with high Fermi velocities
Chin-En Hsu, Yung-Ting Lee, Chieh-Chun Wang +4
Silicon and germanium are the well-known materials used to manufacture electronic devices for the integrated circuits but they themselves are not considered as promising options fo…
The hidden competing phase revealed by first-principles calculations of phonon instability in the nearly optimally doped cuprate LaSrCuO
Chi-Cheng Lee, Ji-Yao Chiu, Yukiko Yamada-Takamura +1
The representative cuprate, LaMCuO, with M = Sr and is studied via first-principles calculations in the high-temperature tetragonal (HTT), low-temperature…
Adatom-induced dislocation annihilation in epitaxial silicene
Antoine Fleurence, Yukiko Yamada-Takamura
The transformation of the stripe domain structure of spontaneously-formed epitaxial silicene on ZrB thin film into a single-domain driven by the adsorption of a fraction of a m…
First-principles study on the stability and electronic structure of monolayer GaSe with trigonal-antiprismatic structure
Hirokazu Nitta, Takahiro Yonezawa, Antoine Fleurence +2
The structural stability and electronic states of GaSe monolayer with trigonal-antiprismatic (AP) structure, which is a recently discovered new polymorph, were studied by first-pri…
Emergence of Nearly Flat Bands through an Embedded Kagome Lattice in an Epitaxial Two-dimensional Ge Layer on ZrB2(0001)
Antoine Fleurence, Chi-Cheng Lee, Rainer Friedlein +8
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…
Bandgap engineering in an epitaxial two-dimensional honeycomb SiGe alloy
Antoine Fleurence, Yuto Awatani, Camille Huet +4
In this Letter, we demonstrate that it is possible to form a two-dimensional (2D) silicene-like SiGe compound by replacing the Si atoms occupying on-top sites in the planar-lik…
Hidden mechanism for embedding the flat bands of Lieb, kagome, and checkerboard lattices in other structures
Chi-Cheng Lee, Antoine Fleurence, Yukiko Yamada-Takamura +1
The interplay of hopping parameters that can give rise to flat bands in consequence of quantum interference in electronic, photonic, and other interesting materials has become an e…
Single-particle excitation of core states in epitaxial silicene
Chi-Cheng Lee, Jun Yoshinobu, Kozo Mukai +6
Recent studies of core-level X-ray photoelectron spectroscopy (XPS) spectra of silicene on ZrB(0001) were found to be inconsistent with the density of states (DOS) of a planar-…
Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene
Chi-Cheng Lee, Antoine Fleurence, Rainer Friedlein +2
The origin of the large-scale stripe pattern of epitaxial silicene on the ZrB(0001) surface observed by scanning tunneling microscope experiments is revealed by first-principle…
Band structure of silicene on the zirconium diboride (0001) thin film surface - convergence of experiment and calculations in the one-Si-atom Brillouin zone
Chi-Cheng Lee, Antoine Fleurence, Yukiko Yamada-Takamura +2
So far, it represents a challenging task to reproduce angle-resolved photoelectron (ARPES) spectra of epitaxial silicene by first-principles calculations. Here, we report on the re…
Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the structure
Florian Gimbert, Chi-Cheng Lee, Rainer Friedlein +3
The interplay of - and -type bonding defines silicon allotropes in two- and three-dimensional forms. A novel two-dimensional phase bearing structural resembleance to a…
Competing magnetism in electrons in graphene with a single carbon vacancy
Chi-Cheng Lee, Yukiko Yamada-Takamura, Taisuke Ozaki
One intriguing finding in graphene is the vacancy-induced magnetism that highlights the interesting interaction between local magnetic moments and conduction electrons. Within dens…
First-principles study on competing phases of silicene: Effect of substrate and strain
Chi-Cheng Lee, Antoine Fleurence, Rainer Friedlein +2
The stability and electronic structure of competing silicene phases under in-plane compressive stress, either free-standing or on the ZrB(0001) surface, has been studied by fir…
Unfolding method for the first-principles LCAO electronic structure calculations
Chi-Cheng Lee, Yukiko Yamada-Takamura, Taisuke Ozaki
Unfolding the band structure of a supercell to a normal cell enables us to investigate how symmetry breakers such as surfaces and impurities perturb the band structure of the norma…