diff --git a/source/_data/pub.bib b/source/_data/pub.bib index 56543650..b859f49d 100644 --- a/source/_data/pub.bib +++ b/source/_data/pub.bib @@ -1,3 +1,50 @@ +@Article{Yang_PhysRevB_2024_v110_p235410, + author = {Shengguo Yang and Jiaxin Chen and Chao-Fei Liu and Mingxing Chen}, + title = {{Evolution of flat bands in MoSe2/WSe2 moir{\'e} lattices: A study + combining machine learning and band unfolding methods}}, + journal = {Phys. Rev. B}, + year = 2024, + volume = 110, + number = 23, + pages = 235410, + doi = {10.1103/PhysRevB.110.235410}, + abstract = {Moir{\textbackslash}'e lattices have served as the ideal quantum + simulation platform for exploring novel physics due to the flat + electronic bands resulting from the long wavelength + moir{\textbackslash}'e potentials. However, the large sizes of this + type of system challenge the first-principles methods for full + calculations of their electronic structures, thus bringing + difficulties in understanding the nature and evolution of the flat + bands. In this study, we investigate the electronic structures of + moir{\textbackslash}'e patterns of MoSe{\$}{\_}2{\$}/WSe{\$}{\_}2{\$} + by combining ab initio and machine learning methods. We find that a + flat band with a bandwidth of about 5 meV emerges below the valence + band edge at the K point for the H-stacking at a twist angle of + 3.89{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$} without + spin-orbit coupling effect. Then, it shifts dramatically as the twist + angle decreases and becomes about 20 meV higher than the valence band + maximum for the twist angle of + 3.15{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$}. Multiple + ultra-flat bands emerge as the twist angle is reduced to + 1.7{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$}. The spin- + orbit coupling leads to a giant spin splitting comparable to that + observed in the untwisted system (about 0.45 eV) and is nearly + independent of twisting and stacking. As a result, the K-valley flat + band remains the valence band maximum with the inclusion of spin-orbit + coupling. Band unfolding reveals that the ultra-flat bands formed by + the {\$}{\textbackslash}Gamma{\$} and K valleys show distinct + behaviors. The {\$}{\textbackslash}Gamma{\$}-valley flat bands are + sensitive to the interlayer coupling, thus experiencing dramatic + changes as the twist angle decreases. In contrast, the K-valley flat + band, which shows a weak dependence on the interlayer coupling, is + mainly modulated by structural reconstruction. Therefore, a relatively + small angle + (2.13{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$}) is + required to generate the K-valley flat band, which experiences a + transition from the honeycomb to the triangular lattice as the twist + angle decreases.}, +} + @Article{Tang_NatCommun_2024_v15_p8815, author = {Zechen Tang and He Li and Peize Lin and Xiaoxun Gong and Gan Jin and Lixin He and Hong Jiang and Xinguo Ren and Wenhui Duan and Yong Xu},