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| Author | Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M. | ||||
| Title | Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap | Type | A1 Journal article | ||
Year  |
2020 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 32 | Issue | 35 | Pages | 355504-355508 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices. | ||||
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| Language | Wos | 000539375800001 | Publication Date | 2020-04-29 | |
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| ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.7 | Times cited | 37 | Open Access | |
| Notes | ; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; | Approved | Most recent IF: 2.7; 2020 IF: 2.649 | ||
| Call Number | UA @ admin @ c:irua:169756 | Serial | 6616 | ||
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