Ferroelectric phase transition driven by anharmonic lattice mode coupling in two-dimensional monolayer In2Se3

Shyai, Wen-Jun1,2; Wang, Rui3,4,5,6; Zhao, Jin-Zhu1,2,6

2023-04-25

10.1103/PhysRevB.107.155427

PHYSICAL REVIEW B   影响因子和分区

2469-9950

2469-9969

In this paper, to better understand the physical origin of spontaneous out-of-plane (OOP) polarization in the wildly investigated two-dimensional (2D) material monolayer (ML) In2Se3, we studied its lattice dynamics behaviors via performing a series of first-principles calculations. Cooperating with a fitted phenomenological model, it is clearly shown that, although the depolarization field is nonzero, spontaneous OOP polarization will survive through the anharmonic coupling with other lattices modes. Additionally, our results indicated that the conventional proper ferroelectric (FE) transition of in-plane (IP) polarization plays a role in the primary driving force for the transition in lattice. Tuning the stability of the IP polar modes can be considered an effective pathway of controlling the FE behavior in ML In2Se3 and related III-VI group 2D materials.

SCI ; EI

英语

通讯

National Nat- ural Science Foundation of China["12274145","11974062","12222402"] ; Guangdong Basic and Applied Basic Research Foundation, China[2023A1515010672]

Materials Science ; Physics

Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter

WOS:000981090800003

AMER PHYSICAL SOC

20231914079894

Crystal lattices ; Depolarization ; Ferroelectricity ; Indium compounds ; Selenium compounds

Electricity: Basic Concepts and Phenomena:701.1 ; Crystal Lattice:933.1.1

PHYSICS

Web of Science

1.South China Normal Univ, Sch Phys & Telecommun Engn, Guangdong Prov Key Lab Quantum Engn & Quantum Mat, Guangzhou 510006, Peoples R China
2.South China Normal Univ, Guangdong Hong Kong Joint Lab Quantum Matter, Guangzhou 510006, Guangdong, Peoples R China
3.Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China
4.Chongqing Univ, Dept Phys, Chongqing 400044, Peoples R China
5.Chongqing Univ, Ctr Quantum Mat & Devices, Chongqing 400044, Peoples R China
6.Southern Univ Sci & Technol, Ctr Computat Sci & Engn, Shenzhen 518055, Peoples R China

Shyai, Wen-Jun,Wang, Rui,Zhao, Jin-Zhu. Ferroelectric phase transition driven by anharmonic lattice mode coupling in two-dimensional monolayer In2Se3[J]. PHYSICAL REVIEW B,2023,107(15).

Shyai, Wen-Jun,Wang, Rui,&Zhao, Jin-Zhu.(2023).Ferroelectric phase transition driven by anharmonic lattice mode coupling in two-dimensional monolayer In2Se3.PHYSICAL REVIEW B,107(15).

Shyai, Wen-Jun,et al."Ferroelectric phase transition driven by anharmonic lattice mode coupling in two-dimensional monolayer In2Se3".PHYSICAL REVIEW B 107.15(2023).