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Two-dimensional magnetic semimetal material and theoretical calculation method thereof

A technology of semi-metallic materials and theoretical calculations, applied in material selection, computer materials science, magnetic field-controlled resistors, etc., can solve problems that restrict the feasibility of spintronic devices

Pending Publication Date: 2022-04-15
SHENZHEN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

However, these two half-metallic magnetic materials have a three-dimensional bulk phase structure, which restricts their feasibility in the miniaturization of spintronic devices.

Method used

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  • Two-dimensional magnetic semimetal material and theoretical calculation method thereof
  • Two-dimensional magnetic semimetal material and theoretical calculation method thereof
  • Two-dimensional magnetic semimetal material and theoretical calculation method thereof

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Embodiment 1

[0025] Magnetic VSe in a two-dimensional half-metallic state 2 O, is the oxygen atom that adsorbs a molecular layer on the surface of the monolayer VSe2, the structure is as follows figure 1 and 2 As shown, the band structure is as image 3 and 4 As shown, the spin-polarized density of states distribution is as Figure 5 shown. Its spin-up energy band is a semiconductor state, and the band gap is 0.58eV through energy band calculation, and the spin-down energy band is a metal state, realizing a semi-metallic magnetic two-dimensional material with a spin polarizability of 100%.

Embodiment 2

[0027] Magnetic VSe in a two-dimensional half-metallic state 2 o 2 , for the adsorption of two molecular layers of oxygen atoms on the surface of monolayer VSe2, the structure is as Figure 6 and 7 As shown, the band structure is as Figure 8 and 9 As shown, the spin-polarized density of states distribution is as Figure 10 shown. Its spin-up energy band is a semiconductor state, and the band gap is 0.26eV through energy band calculation, and the spin-down energy band is a metal state, realizing a semi-metallic magnetic two-dimensional material with a spin polarizability of 100%.

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Abstract

The invention discloses a two-dimensional magnetic semimetal material and a theoretical calculation method thereof in the technical field of two-dimensional magnetic material performance regulation and control. The two-dimensional magnetic semimetal material has a sandwich layered structure composed of a first selenium atom layer, a vanadium atom layer and a second selenium atom layer inherent to single-layer vanadium diselenide, and an oxygen atom layer formed by adsorbing oxygen atoms on the first selenium atom layer and / or the second selenium atom layer. Through calculation of a software package VASP, the two-dimensional material has a semimetal characteristic, and the spin polarizability reaches 100%. The method provides a basis for preparation of the two-dimensional magnetic semimetal material, has a wide prospect in miniaturization application of spintronics devices, and is of great significance to research and development of devices in the later moles era.

Description

technical field [0001] The invention belongs to the technical field of performance control of two-dimensional magnetic materials, and in particular relates to a two-dimensional magnetic semi-metal material and a theoretical calculation method thereof. Background technique [0002] Charge and spin are the inherent properties of electrons. Current integrated circuits only exploit and utilize the degree of freedom of charge. By exploiting and manipulating the spin and magnetic moment of electrons, spintronics can be realized. In spintronics devices Semi-metallic materials with extremely high spin polarizability are needed as electrodes to implement spin injection. In the early 1980s, deGroot of the University of Nijmegen in the Netherlands discovered a new type of magnetic material, called a semi-metallic magnetic material, which has a spin polarizability of conduction electrons as high as 100%. It has broad application prospects in the field of medical devices. Chinese inven...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): H01L43/08H01L43/10G16C60/00H10N50/10
CPCG16C60/00H10N50/85H10N50/10
Inventor 田晓庆玛丽亚姆·基亚尼王向荣鲍里斯·雅克布森
Owner SHENZHEN UNIV
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