Tuning Electronic and Magnetic Properties of Two-Dimensional Ferromagnetic Semiconductor CrI3through Adsorption of Benzene

Lu，Min1; Yao，Qiushi2; Li，Qiongyu1; Xiao，Chuanyun1; Huang，Chengxi1; Kan，Erjun1

2020-10-08

10.1021/acs.jpcc.0c06071

Journal of Physical Chemistry C   影响因子和分区

1932-7447

1932-7455

Two-dimensional (2D) ferromagnetic (FM) semiconductor chromium triiodide (CrI3) has attracted much attention because of its long-range two-dimensional (2D) FM order and tunable interlayer magnetic coupling. In the present work, the electronic and magnetic properties of CrI3 monolayer adsorbing benzene molecules (denoted as C6H6@CrI3) is systematically investigated by means of first-principles calculations, which gives a better understanding and particular opportunity of crafting desired properties of this material. It is found that the adsorption of benzene molecules can enhance the optical absorption and FM couplings of CrI3 monolayer. The enhancement of FM coupling is independent of the adsorption concentration of benzene molecules. We hope that these findings will bring additional interest to the newly experimentally synthesized 2D FM semiconductor.

SCI ; EI

英语

其他

NSFC[51522206][11774173] ; Fundamental Research Funds for the Central Universities[30915011203]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:000580580000025

AMER CHEMICAL SOC

20204709507275

Benzene ; Ferromagnetic materials ; Frequency modulation ; Ferromagnetism ; Monolayers ; Adsorption ; Molecules ; Chromium compounds ; Light absorption ; Magnetic properties

Magnetism: Basic Concepts and Phenomena:701.2 ; Magnetic Materials:708.4 ; Light/Optics:741.1 ; Chemical Operations:802.3 ; Organic Compounds:804.1 ; Mathematics:921 ; Atomic and Molecular Physics:931.3

2-s2.0-85096187302

Scopus

1.Department of Applied Physics,Institution of Energy and Microstructure,Nanjing University of Science and Technology,Nanjing, Jiangsu,210094,China
2.Department of Physics,Shenzhen Institute for Quantum Science and Technology,Southern University of Science and Technology,Shenzhen,518055,China

Lu，Min,Yao，Qiushi,Li，Qiongyu,et al. Tuning Electronic and Magnetic Properties of Two-Dimensional Ferromagnetic Semiconductor CrI3through Adsorption of Benzene[J]. Journal of Physical Chemistry C,2020,124(40):22143-22149.

Lu，Min,Yao，Qiushi,Li，Qiongyu,Xiao，Chuanyun,Huang，Chengxi,&Kan，Erjun.(2020).Tuning Electronic and Magnetic Properties of Two-Dimensional Ferromagnetic Semiconductor CrI3through Adsorption of Benzene.Journal of Physical Chemistry C,124(40),22143-22149.

Lu，Min,et al."Tuning Electronic and Magnetic Properties of Two-Dimensional Ferromagnetic Semiconductor CrI3through Adsorption of Benzene".Journal of Physical Chemistry C 124.40(2020):22143-22149.