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Effect of Gd doping on the magnetism and work function of Fe1-xGdx/Fe (001) |
Tang Ke-Qin (汤可嵚), Zhong Ke-Hua (钟克华), Cheng Yan-Ming (程燕铭), Huang Zhi-Gao (黄志高) |
College of Physics and Energy, Fujian Normal University, Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, Fuzhou 350108, China |
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Abstract The magnetism and work function Φ of Fe1-xGdx/Fe (001) films have been investigated using first-principles methods based on the density functional theory. The calculated results reveal that Gd doping on the Fe (001) surface would greatly affect the geometrical structure of the system. The restruction of the surface atoms leads to the transition of magnetic coupling between Gd and Fe atoms from ferromagnetic (FM) for 0.5 ≤ x ≤ 0.75 to antiferromagnetic (AFM) for x=1.0. For Fe1-xGdx/Fe (001) (x=0.25, 0.5, 0.75, 1.0), the charge transfer from Gd to Fe leads to a positive dipole formed on the surface, which is responsible for the decrease of the work function. Moreover, it is found that the magnetic moments of Fe and Gd on the surface layer can be strongly influenced by Gd doping. The changes of the work function and magnetism for Fe1-xGdx/Fe (001) can be explained by the electron transfer, the magnetic coupling interaction between Gd and Fe atoms, and the complex surface restruction. Our work strongly suggests that the doping of the metal with a low work function is a promising way for modulating the work function of the magnetic metal gate.
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Received: 03 August 2013
Revised: 23 October 2013
Accepted manuscript online:
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PACS:
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63.20.dk
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(First-principles theory)
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75.70.-i
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(Magnetic properties of thin films, surfaces, and interfaces)
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65.40.gh
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(Work functions)
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75.50.Bb
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(Fe and its alloys)
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Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11004039) and the National Basic Research Program of China (Grant No. 2011CBA00200). |
Corresponding Authors:
Huang Zhi-Gao
E-mail: zghuang@fjnu.edu.cn
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About author: 63.20.dk; 75.70.-i; 65.40.gh; 75.50.Bb |
Cite this article:
Tang Ke-Qin (汤可嵚), Zhong Ke-Hua (钟克华), Cheng Yan-Ming (程燕铭), Huang Zhi-Gao (黄志高) Effect of Gd doping on the magnetism and work function of Fe1-xGdx/Fe (001) 2014 Chin. Phys. B 23 056301
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