Magnetism of elemental two-dimensional metals

Ren，Yinti1,2; Hu，Liang2; Shao，Yangfan2; Hu，Yijian2; Huang，Li2; Shi，Xingqiang3

2021-04-07

10.1039/d1tc00438g

Journal of Materials Chemistry C   影响因子和分区

2050-7534

2050-7526

Two-dimensional (2D) elemental metals have attracted considerable attention because of their fascinating physical properties and potential diverse applications. Information on the structures, mechanical properties, and dynamical stabilities of single atom thick phases of metallic elements in the periodic table has been previously reported. Here, the magnetic properties of 45 2D metals in three lattice structures (hexagonal, square, and honeycomb) were systematically explored using density functional theory calculations. Although it is well known that there are only five magnetic elements in their 3D counterparts, it is interesting to find that 18 of the 45 2D elemental metals are endowed with magnetism due to coordination number decreases and energy band narrowing of the out-of-plane orbitals. In particular, the honeycomb lattice is more likely to be magnetic than the square lattice. Most of the magnetic 2D metals are ferromagnetic and only a few are anti-ferromagnetic. It is further shown that the 2D metals with higher structural symmetry have smaller magnetic moments. These results provide a foundation for the further study of their magnetic/spintronic properties and their potential applications, such as in catalysis and gas sensing.

SCI ; EI

英语

其他

Materials Science ; Physics

Materials Science, Multidisciplinary ; Physics, Applied

WOS:000637928100010

ROYAL SOC CHEMISTRY

20211510200721

Density functional theory ; Ferromagnetic materials ; Ferromagnetism ; Honeycomb structures ; Lattice theory ; Magnetic moments ; Metals ; Stability

Structural Members and Shapes:408.2 ; Metallurgy and Metallography:531 ; Magnetism: Basic Concepts and Phenomena:701.2 ; Magnetic Materials:708.4 ; Probability Theory:922.1 ; Mathematical Statistics:922.2

2-s2.0-85103846245

Scopus

1.Harbin Institute of Technology,Harbin,150080,China
2.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
3.Hebei Key Laboratory of Optic-Electronic Information and Materials,College of Physics Science and Technology,Hebei University,Baoding,071002,China

Ren，Yinti,Hu，Liang,Shao，Yangfan,et al. Magnetism of elemental two-dimensional metals[J]. Journal of Materials Chemistry C,2021,9(13):4554-4561.

Ren，Yinti,Hu，Liang,Shao，Yangfan,Hu，Yijian,Huang，Li,&Shi，Xingqiang.(2021).Magnetism of elemental two-dimensional metals.Journal of Materials Chemistry C,9(13),4554-4561.

Ren，Yinti,et al."Magnetism of elemental two-dimensional metals".Journal of Materials Chemistry C 9.13(2021):4554-4561.