journal article·2021-05-12Open access

Enhancing Ferromagnetism and Tuning Electronic Properties of CrI3 Monolayers by Adsorption of Transition-Metal Atoms

Qiang Yang, Xiaohui Hu, Xiaodong Shen, Arkady V. Krasheninnikov, Zhongfang Chen, Litao Sun

ACS Applied Materials & 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 CrI3 by deposition of TM atoms as a new route toward potential applications of TM–CrI3 systems in nanoelectronic and spintronic devices.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: 2D Materials and Applications · MXene and MAX Phase Materials · Advanced Photocatalysis Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

College of Materials Science and Engineering, Nanjing Tech University, Nanjing 211816, China

Jiangsu Collaborative Innovation Center for Advanced Inorganic Function Composites, Nanjing Tech University, Nanjing 211816, China

Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden, Germany

Department of Applied Physics, Aalto University School of Science, P.O. Box 11100, 00076 Aalto, Finland

Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan 00931, Puerto Rico

SEU-FEI Nano-Pico Center, Key Laboratory of MEMS of Ministry of Education, Collaborative Innovation Center for Micro/Nano Fabrication, Device and System, Southeast University, Nanjing 210096, China

Funding

Ministry of Education of the People's Republic of China · Deutsche Forschungsgemeinschaft · Natural Science Foundation of Jiangsu Province · National Aeronautics and Space Administration · National Natural Science Foundation of China · Priority Academic Program Development of Jiangsu Higher Education Institutions · NSF Center for the Advancement of Wearable Technologies · Jiangsu Planned Projects for Postdoctoral Research Funds · Postgraduate Research & Practice Innovation Program of Jiangsu Province · Key Laboratory of MEMS of Ministry of Education, Southeast University

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