arXiv subjects

J. B. Lin

Publications and source records attributed to J. B. Lin.

3 recordsLinked to original sources

arXiv2022

Group Theory Analysis of Phonons in Monolayer Chromium Trihalides and Their Janus Structures

A contrastive investigation of the symmetry aspects of phonons in monolayer chromium trihalides and their Janus structures Y$_3$-Cr$_2$-X$_3$ (X, Y = F, Cl, Br, I) by group theory is presented. We first classify all phonons at the Brillouin-zone center ($\Gamma$) into the irreducible representation. Then the infrared and Raman activity of optic phonons, Raman tensors, and the possible polarization assignments of R active phonons are predicted. Base on these results, we clarify the the discrepancy about the Raman activity o optic modes in monolayer CrI$_3$. Besides, we find that the Raman and infrared spectra for X$_3$-Cr$_2$-X$_3$ are exclusive, whereas that for Janus Y$_3$-Cr$_2$-X$_3$ are coincident. This distinction is vital for optic spectra identification of Janus Y$_3$-Cr$_2$-X$_3$ monolayer from X$_3$-Cr$_2$-X$_3$ monolayer. In addition, we derive the symmetry-matched phonon eigenfunctions and corresponding schematic representations of the eigenvectors for both F$_3$-Cr$_2$-I$_3$ and I$_3$-Cr$_2$-I$_3$ monolayer, which demonstrate intuitively the origin of phonon chirality and magnetism. At last, our analysis indicates that the spin-phonon coupling, the magneto-optical effect of infrared and Raman active phonons, and phonon chirality should be observed in Janus Y$_3$-Cr$_2$-X$_3$ monolayer as that and even easier than that in X$_3$-Cr$_2$-X$_3$ monolayer. Our work provides a detailed guiding map for experimental characterization of Y$_3$-Cr$_2$-X$_3$ monolayer, and also reveals important effects of optic phonons in Janus Y$_3$-Cr$_2$-X$_3$ monolayer.

cond-mat.mtrl-sci↗

arXiv2021

Fermi arcs of topological surface states in multi-Weyl Semimetals

The Fermi arcs of topological surface states in the three-dimensional multi-Weyl semimetals on surfaces by a continuum model are investigated systematically. We calculated analytically the energy spectra and wave function for bulk quadratic- and cubic-Weyl semimetal with a single Weyl point. The Fermi arcs of topological surface states in Weyl semimetals with single- and double-pair Weyl points are investigated systematically. The evolution of the Fermi arcs of surface states variating with the boundary parameter is investigated and the topological Lifshitz phase transition of the Fermi arc connection is clearly demonstrated. Besides, the boundary condition for the double parallel flat boundary of Weyl semimetal is deduced with a Lagrangian formalism.

cond-mat.mes-hall↗

arXiv2020

Angle-dependence of interlayer coupling in twisted transition metal dichalcogenide heterobilayers

We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the interlayer overlapping degree, a geometric quantity describing well the interlayer steric effect. The binding energy is found to be a Gaussian-like function of twist angle. The resistance to rotation, an analogue to the interlayer sliding barrier, can also be defined accordingly. In sharp contrast to the case of MoS2 homobilayer, here the energy band gap reduces with increasing twist angle. We find a remarkable interlayer charge transfer from MoTe2 to MoS2 which enlarges the band gap, but this charge transfer weakens with greater twisting and interlayer overlapping degree. Our discovery provides a solid basis in twistronics and practical instruction in band structure engineering of van der Waals heterostructures.

cond-mat.mtrl-sci↗