Zhishuo Huang

activity

20142025

most citedTwo dimensional semiconductors with possible high room temperature mobility

819 citations · 1.1k across the 11 of their papers we have counts for

collaborators

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3 papers · 1 filter

physics.chem-ph2025★ 3 cited

Breakdown of broken-symmetry approach to exchange interaction

Naoya Iwahara, Zhishuo Huang, Akseli Mansikkamäki +1

Broken-symmetry (BS) approaches are widely employed to evaluate Heisenberg exchange parameters, primarily in combination with DFT calculations. For many magnetic materials, BS-DFT…

physics.chem-ph2019★ 4 cited

Dynamical Jahn-Teller effect in the first excited C $_{60}^{-}$

Zhishuo Huang, Dan Liu

The Jahn-Teller effect of C $_{60}$ anions in the first electronically excited states was theoretically investigated. The orbital vibronic coupling parameters for the $t_{1 g}$ next…

physics.chem-ph2019★ 3 cited

First principles study of the vibronic coupling in positively charged C $_{60}^{+}$

Zhishuo Huang, Dan Liu

Vibronic coupling parameters for C $_{60}^{+}$ were derived via DFT calculations with hybrid B3LYP and CAM-B3LYP functional, based on which the static Jahn-Teller effect were analyz…

Breakdown of broken-symmetry approach to exchange interaction

Dynamical Jahn-Teller effect in the first excited C60−​

First principles study of the vibronic coupling in positively charged C60+​

Dynamical Jahn-Teller effect in the first excited C $_{60}^{-}$

First principles study of the vibronic coupling in positively charged C $_{60}^{+}$