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Title: Vertical van der waals heterostructure of single layer InSe and SiGe
Authors: Eren, İsmail
Özen, Sercan
Sözen, Yiğit
Yağmurcukardeş, Mehmet
Şahin, Hasan
Issue Date: 2019
Publisher: American Chemical Society
Abstract: We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.
Description: Sahin, Hasan/0000-0002-6189-6707; OZEN, Sercan/0000-0001-9955-4158; yagmurcukardes, mehmet/0000-0002-1416-7990
WOS: 000505632900050
ISSN: 1932-7447
Appears in Collections:Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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