التفاصيل البيبلوغرافية
| العنوان: |
Predicted novel Janus γ -Ge2 XY ( X/Y= S, Se, Te) monolayers with Mexican-hat dispersions and high carrier mobilities. |
| المؤلفون: |
Vu, Tuan V, Phuc, Huynh V, Nhan, Le C, Kartamyshev, A I, Hieu, Nguyen N |
| المصدر: |
Journal of Physics D: Applied Physics; 3/30/2023, Vol. 56 Issue 13, p1-12, 12p |
| مصطلحات موضوعية: |
CHARGE carrier mobility, PHASE transitions, MONOMOLECULAR films, ELECTRON mobility, ELECTRIC field effects, CHALCOGENS |
| مستخلص: |
This work is motivated by the recent fabrication of a new four-atom-thick hexagonal polymorph from group IV monochalcogenide, so-called γ -GeSe (Lee et al 2021 Nano Lett. 21 4305). In this paper, we propose and examine the structural characteristics, electronic properties, and carrier mobility of monolayers Janus γ -Ge2 XY ( X / Y = S, Se, or Te) based on comprehensive first-principles calculations. Monolayers γ -Ge2 XY are confirmed to be structurally stable. Our calculations reveal that γ -Ge2 XY monolayers are indirect semiconductors with Mexican-hat-like dispersions in the top valence band. While the effect of the electric field on the energy band dispersions of γ -Ge2 XY monolayers is weak, the energy band dispersions are changed drastically in the presence of strain, especially compressive strain. Interestingly, a structural phase transition from semiconductor to metal is observed in γ -Ge2 XY under compressive strain. γ -Ge2STe and γ -Ge2SeTe possess high electron mobility with values of 3.22 × 10 3 and 8.33 × 10 3 cm2 V−1 s−1, respectively. Our findings not only explore the fundamental physical properties of γ -Ge2 XY but also open up new opportunities in the design of high-performance electronic nanodevices based on layered nanomaterials with Mexican-hat-like dispersions. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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