Two-dimensional uranium halide monolayers UX3 (X[dbnd]Cl, Br) with high Curie temperatures

Shujing Li; Mei Zhou; Xiaohui Wang; Fawei Zheng; Xiaohong Shao; Ping Zhang

doi:10.1016/j.physleta.2020.127078

Two-dimensional uranium halide monolayers UX₃ (X[dbnd]Cl, Br) with high Curie temperatures

Shujing Li, Mei Zhou, Xiaohui Wang, Fawei Zheng, Xiaohong Shao^*, Ping Zhang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

9 Citations (Scopus)

Abstract

The successful fabrication of two-dimensional ferromagnetic materials, such as monolayer CrI₃ and bilayer Cr₂Ge₂Te₆, has drawn much attention in recent years. Here, we found that UX₃ (with X[dbnd]Cl, Br) monolayers are ferromagnetic materials with high Curie temperatures. In this study we explored the electronic structures and magnetic properties of UX₃ by using density functional theory. UX₃ has a ferromagnetic order with in-plane magnetic easy axis (i.e., along x direction), and its magnetic anisotropy is 31.2∼34.2 meV per U atom. We performed Monte Carlo calculations to predict the Curie transition temperatures. They are as high as 160 and 125 K for UCl₃ and UBr₃ monolayers, respectively, which are higher than that of the UI₃ found before. Therefore, UX₃ monolayers offer new platforms for the study of spintronic devices.

Original language	English
Article number	127078
Journal	Physics Letters, Section A: General, Atomic and Solid State Physics
Volume	394
DOIs	https://doi.org/10.1016/j.physleta.2020.127078
Publication status	Published - 2 Apr 2021
Externally published	Yes

Keywords

Curie temperature
First-principles calculations
Two-dimensional ferromagnetic materials
f Electrons

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10.1016/j.physleta.2020.127078

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title = "Two-dimensional uranium halide monolayers UX3 (X[dbnd]Cl, Br) with high Curie temperatures",

abstract = "The successful fabrication of two-dimensional ferromagnetic materials, such as monolayer CrI3 and bilayer Cr2Ge2Te6, has drawn much attention in recent years. Here, we found that UX3 (with X[dbnd]Cl, Br) monolayers are ferromagnetic materials with high Curie temperatures. In this study we explored the electronic structures and magnetic properties of UX3 by using density functional theory. UX3 has a ferromagnetic order with in-plane magnetic easy axis (i.e., along x direction), and its magnetic anisotropy is 31.2∼34.2 meV per U atom. We performed Monte Carlo calculations to predict the Curie transition temperatures. They are as high as 160 and 125 K for UCl3 and UBr3 monolayers, respectively, which are higher than that of the UI3 found before. Therefore, UX3 monolayers offer new platforms for the study of spintronic devices.",

keywords = "Curie temperature, First-principles calculations, Two-dimensional ferromagnetic materials, f Electrons",

author = "Shujing Li and Mei Zhou and Xiaohui Wang and Fawei Zheng and Xiaohong Shao and Ping Zhang",

note = "Publisher Copyright: {\textcopyright} 2020",

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doi = "10.1016/j.physleta.2020.127078",

language = "English",

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journal = "Physics Letters, Section A: General, Atomic and Solid State Physics",

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T1 - Two-dimensional uranium halide monolayers UX3 (X[dbnd]Cl, Br) with high Curie temperatures

AU - Li, Shujing

AU - Zhou, Mei

AU - Wang, Xiaohui

AU - Zheng, Fawei

AU - Shao, Xiaohong

AU - Zhang, Ping

PY - 2021/4/2

Y1 - 2021/4/2

N2 - The successful fabrication of two-dimensional ferromagnetic materials, such as monolayer CrI3 and bilayer Cr2Ge2Te6, has drawn much attention in recent years. Here, we found that UX3 (with X[dbnd]Cl, Br) monolayers are ferromagnetic materials with high Curie temperatures. In this study we explored the electronic structures and magnetic properties of UX3 by using density functional theory. UX3 has a ferromagnetic order with in-plane magnetic easy axis (i.e., along x direction), and its magnetic anisotropy is 31.2∼34.2 meV per U atom. We performed Monte Carlo calculations to predict the Curie transition temperatures. They are as high as 160 and 125 K for UCl3 and UBr3 monolayers, respectively, which are higher than that of the UI3 found before. Therefore, UX3 monolayers offer new platforms for the study of spintronic devices.

AB - The successful fabrication of two-dimensional ferromagnetic materials, such as monolayer CrI3 and bilayer Cr2Ge2Te6, has drawn much attention in recent years. Here, we found that UX3 (with X[dbnd]Cl, Br) monolayers are ferromagnetic materials with high Curie temperatures. In this study we explored the electronic structures and magnetic properties of UX3 by using density functional theory. UX3 has a ferromagnetic order with in-plane magnetic easy axis (i.e., along x direction), and its magnetic anisotropy is 31.2∼34.2 meV per U atom. We performed Monte Carlo calculations to predict the Curie transition temperatures. They are as high as 160 and 125 K for UCl3 and UBr3 monolayers, respectively, which are higher than that of the UI3 found before. Therefore, UX3 monolayers offer new platforms for the study of spintronic devices.

KW - Curie temperature

KW - First-principles calculations

KW - Two-dimensional ferromagnetic materials

KW - f Electrons

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SN - 0375-9601

VL - 394

JO - Physics Letters, Section A: General, Atomic and Solid State Physics

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M1 - 127078

ER -

Two-dimensional uranium halide monolayers UX₃ (X[dbnd]Cl, Br) with high Curie temperatures

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Keywords

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