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Title: Monolayer AsTe2: Stable Robust Metal in 2D, 1D and 0D
Authors: Badalov, S. V.
Kandemir, Ali
Şahin, Hasan
Keywords: 2D materials
Arsenic ditelluride monolayers
Quantum dots
Ultra-thin materials
Issue Date: Sep-2018
Publisher: Wiley
Source: Badalov, S. V., Kandemir, A., and Şahin, H. (2018). Monolayer AsTe2: Stable Robust Metal in 2D, 1D and 0D. ChemPhysChem, 19(17), 2176-2182. doi:10.1002/cphc.201800473
Abstract: The structural, phononic, and electronic properties of the monolayer structures of AsTe2 are characterized by performing density functional theory (DFT) calculations. Total energy optimization and phonon calculations reveal that single layers of the 2H-AsTe2 and 1T-AsTe2 phases form dynamically stable crystal structures. Electronic structure analysis also shows that both 2H and 1T phases have nonmagnetic metallic character. It is also predicted that the metallic nature of the ultra-thin both 2H-AsTe2 and 1T-AsTe2 structures remain unchanged even under high biaxial strain values. For further examination of the dimensionality effect in the robust metallicity in 2D AsTe2 phases, electronic characteristics of 1D nanoribbons and 0D quantum dots are also investigated. It is found that independent from the dimension and crystallographic orientations 0D and 1D structures of 2H- and 1T-AsTe2 structures have metallic behavior. It is found that single layers of AsTe2 are quite promising materials for nanodevice applications owing to the robust metallic character.
ISSN: 1439-4235
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Photonics / Fotonik
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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