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Update pub.bib (#178)
Add an ABACUS paper.
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@Article{Yang_PhysRevB_2024_v110_p235410,
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author = {Shengguo Yang and Jiaxin Chen and Chao-Fei Liu and Mingxing Chen},
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title = {{Evolution of flat bands in MoSe2/WSe2 moir{\'e} lattices: A study
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combining machine learning and band unfolding methods}},
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journal = {Phys. Rev. B},
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year = 2024,
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volume = 110,
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number = 23,
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pages = 235410,
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doi = {10.1103/PhysRevB.110.235410},
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abstract = {Moir{\textbackslash}'e lattices have served as the ideal quantum
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simulation platform for exploring novel physics due to the flat
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electronic bands resulting from the long wavelength
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moir{\textbackslash}'e potentials. However, the large sizes of this
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type of system challenge the first-principles methods for full
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calculations of their electronic structures, thus bringing
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difficulties in understanding the nature and evolution of the flat
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bands. In this study, we investigate the electronic structures of
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moir{\textbackslash}'e patterns of MoSe{\$}{\_}2{\$}/WSe{\$}{\_}2{\$}
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by combining ab initio and machine learning methods. We find that a
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flat band with a bandwidth of about 5 meV emerges below the valence
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band edge at the K point for the H-stacking at a twist angle of
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3.89{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$} without
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spin-orbit coupling effect. Then, it shifts dramatically as the twist
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angle decreases and becomes about 20 meV higher than the valence band
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maximum for the twist angle of
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3.15{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$}. Multiple
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ultra-flat bands emerge as the twist angle is reduced to
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1.7{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$}. The spin-
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orbit coupling leads to a giant spin splitting comparable to that
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observed in the untwisted system (about 0.45 eV) and is nearly
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independent of twisting and stacking. As a result, the K-valley flat
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band remains the valence band maximum with the inclusion of spin-orbit
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coupling. Band unfolding reveals that the ultra-flat bands formed by
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the {\$}{\textbackslash}Gamma{\$} and K valleys show distinct
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behaviors. The {\$}{\textbackslash}Gamma{\$}-valley flat bands are
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sensitive to the interlayer coupling, thus experiencing dramatic
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changes as the twist angle decreases. In contrast, the K-valley flat
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band, which shows a weak dependence on the interlayer coupling, is
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mainly modulated by structural reconstruction. Therefore, a relatively
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small angle
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(2.13{\$}{\textasciicircum}{\{}{\textbackslash}circ{\}}{\$}) is
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required to generate the K-valley flat band, which experiences a
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transition from the honeycomb to the triangular lattice as the twist
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angle decreases.},
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}
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@Article{Tang_NatCommun_2024_v15_p8815,
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author = {Zechen Tang and He Li and Peize Lin and Xiaoxun Gong and Gan Jin and
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Lixin He and Hong Jiang and Xinguo Ren and Wenhui Duan and Yong Xu},

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