MnX (X = P, As) monolayers: a new type of two-dimensional intrinsic room temperature ferromagnetic half-metallic material with large magnetic anisotropy

Nanoscale
Bing WangJinlan Wang

Abstract

Recent experimentally demonstrated intrinsic two-dimensional (2D) magnetism has sparked intense interest for advanced spintronic applications. However, the rather low Curie temperature and small magnetic anisotropic energy (MAE) greatly limit their application scope. Here, by using density functional theory calculations, we predict a series of stable 2D MnX (X = P, As, Sb) monolayers, among which MnP and MnAs monolayers exhibit intrinsic ferromagnetic (FM) ordering and considerably large MAEs of 166 and 281 μeV per Mn atom, respectively. More interestingly, the 2D MnP and MnAs monolayers exhibit highly desired half-metallicity with wide spin gaps of about 3 eV. Monte Carlo simulations suggest markedly high Curie temperatures of MnP and MnAs monolayers, ∼495 K and 711 K, respectively. Besides, these monolayers are the lowest energy structures in the 2D search space with excellent dynamic and thermal stabilities. A viable experimental synthesis route is also proposed to produce MnX monolayers via the selective chemical etching method. The outstanding attributes of MnP and MnAs monolayers would substantially broaden the applicability of 2D magnetism for a wide range of applications.

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Sep 1, 2018·Nanoscale Horizons : the Home for Rapid Reports of Exceptional Significance in Nanoscience and Nanotechnolgy·Bing WangJinlan Wang

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Citations

May 7, 2020·Physical Chemistry Chemical Physics : PCCP·Yusuf Zuntu AbdullahiOlcay Üzengi Aktürk
Jun 13, 2020·Small·Xian SunLei Fu
May 23, 2020·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Tengfei HuYong Liu
Apr 10, 2020·Physical Chemistry Chemical Physics : PCCP·Peng LvJia-Fu Wang
Oct 23, 2020·Physical Chemistry Chemical Physics : PCCP·Y HuX L Fan
Dec 22, 2020·Physical Chemistry Chemical Physics : PCCP·Atish GhoshPranab Sarkar
Mar 31, 2021·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Xiang LinPing Wu
Nov 27, 2019·The Journal of Physical Chemistry Letters·Xue JiangJijun Zhao
Oct 11, 2019·The Journal of Physical Chemistry Letters·Xiao Tang, Liangzhi Kou
Dec 31, 2019·The Journal of Physical Chemistry Letters·Yang HuShi-Shen Yan
Jun 30, 2019·The Journal of Physical Chemistry Letters·Jingyun JiaoZhimei Sun
May 9, 2019·The Journal of Physical Chemistry Letters·Shuang ZhengGuochun Yang
Sep 30, 2021·Nanoscale·Yaxuan WuZhenxiang Cheng
Dec 11, 2021·Nanoscale Horizons : the Home for Rapid Reports of Exceptional Significance in Nanoscience and Nanotechnolgy·Xiaoyu XuanWanlin Guo
Feb 3, 2022·Nanoscale Horizons : the Home for Rapid Reports of Exceptional Significance in Nanoscience and Nanotechnolgy·Yinggan ZhangZhimei Sun

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Methods Mentioned

BETA
AFM

Software Mentioned

PHONOPY
Vienna ab initio simulation package ( VASP )
CALYPSO

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