Enhancing Ferromagnetism and Tuning Electronic Properties of CrI3 Monolayers by Adsorption of Transition-Metal Atoms
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2021-05-12
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en
Pages
9
21593-21601
21593-21601
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ACS Applied Materials and Interfaces, Volume 13, issue 18
Abstract
Among first experimentally discovered two-dimensional (2D) ferromagnetic materials, chromium triiodide (CrI3) monolayers have attracted particular attention due to their potential applications in electronics and spintronics. However, the Curie temperature Tc of the CrI3 monolayer is below room temperature, which greatly limits practical development of the devices. Herein, using density functional theory calculation, we explore how the electronic and magnetic properties of CrI3 monolayers change upon adsorption of 3d transition-metal (TM) atoms (from Sc to Zn). Our results indicate that the electronic properties of the TM-CrI3 system can be tuned from semiconductor to metal/half-metal/spin gapless semiconductor depending on the choice of the adsorbed TM atoms. Moreover, the adsorption can improve the ferromagnetic stability of CrI3 monolayers by increasing both magnetic moments and Tc. Notably, Tc of CrI3 with Sc and V adatoms can be increased by nearly a factor of 3. We suggest postsynthesis doping of 2D CrI3by deposition of TM atoms as a new route toward potential applications of TM-CrI3 systems in nanoelectronic and spintronic devices.Description
Funding Information: This work was supported in China by the National Natural Science Foundation of China (No. 11604047), the Natural Science Foundation of Jiangsu Province (No. BK20160694), the Jiangsu Planned Projects for Postdoctoral Research Funds (No. 2019K010A), the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), the Postgraduate Research and Practice Innovation Program of Jiangsu Province (KYCX20_1065), the Fundamental Research Funds for the Central Universities, and the open research fund of Key Laboratory of MEMS of Ministry of Education, Southeast University, and in USA by NASA (Grant Number 80NSSC19M0236) and NSF Center for the Advancement of Wearable Technologies (Grant 1849243). A.V.K. acknowledges funding from the German Research Foundation (DFG), Project KR 48661/2. The authors are thankful for the computational resources from the High Performance Computing Center of Nanjing Tech University, National Supercomputer Center in Tianjin. Publisher Copyright: © Copyright: Copyright 2021 Elsevier B.V., All rights reserved.
Keywords
CrImonolayer, electronic properties, ferromagnetism, magnetic properties, transition-metal adsorption
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Citation
Yang , Q , Hu , X , Shen , X , Krasheninnikov , A V , Chen , Z & Sun , L 2021 , ' Enhancing Ferromagnetism and Tuning Electronic Properties of CrI 3 Monolayers by Adsorption of Transition-Metal Atoms ' , ACS Applied Materials and Interfaces , vol. 13 , no. 18 , pp. 21593-21601 . https://doi.org/10.1021/acsami.1c01701