Magnetism in transition-metal-doped germanene: A first-principles study

Minglei Sun; Qingqiang Ren; Sake Wang; Yajun Zhang; Yanhui Du; Jin Yu; Wencheng Tang

doi:10.1016/j.commatsci.2016.03.006

Magnetism in transition-metal-doped germanene: A first-principles study

Minglei Sun, Qingqiang Ren, Sake Wang, Yajun Zhang, Yanhui Du, Jin Yu, Wencheng Tang

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

78 Scopus citations

Abstract

Previous works have shown that transition-metal doping was usually used to induce magnetism in host. Germanene is the graphene-like germanium nanosheet, which has been synthesized very recently (Dávila et al., 2014). Here we systematically investigate the geometric, electronic and magnetic properties of 3d series transition-metal (Sc-Ni) substitutional doped germanene. We found that the bonding strength of the transition-metal impurities to germanene is rather strong. Magnetism is observed for V, Cr, Mn, Fe and Co doping. Detailed analysis shows that the magnetic moment comes from the localized d orbitals of transition-metal atom. In particular, Mn-substituted system exhibits a largest magnetic moment ∼3.5 μ_B even at a very low impurity concentration. We obtain Curie temperature in excess of room temperature for Mn-substituted system in the impurity concentration of 3.125%, indicating the potential for magnetic storage applications.

Original language	English
Pages (from-to)	112-116
Number of pages	5
Journal	Computational Materials Science
Volume	118
DOIs	https://doi.org/10.1016/j.commatsci.2016.03.006
State	Published - Jun 1 2016
Externally published	Yes

Funding

The authors would like to thank the continuous funding support of the National Science and Technology Major Project of the Ministry of Science and Technology of China ( 2012ZX04002-012 ). Fig. 1 (a), Fig. 1 (c) and the inset in Fig. 2 were generated using the VESTA program [44] .

Funders	Funder number
Ministry of Science and Technology of the People's Republic of China	2012ZX04002-012

Keywords

Doping
First-principles
Germanene
Magnetic storage
Room temperature ferromagnetism

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10.1016/j.commatsci.2016.03.006

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title = "Magnetism in transition-metal-doped germanene: A first-principles study",

abstract = "Previous works have shown that transition-metal doping was usually used to induce magnetism in host. Germanene is the graphene-like germanium nanosheet, which has been synthesized very recently (D{\'a}vila et al., 2014). Here we systematically investigate the geometric, electronic and magnetic properties of 3d series transition-metal (Sc-Ni) substitutional doped germanene. We found that the bonding strength of the transition-metal impurities to germanene is rather strong. Magnetism is observed for V, Cr, Mn, Fe and Co doping. Detailed analysis shows that the magnetic moment comes from the localized d orbitals of transition-metal atom. In particular, Mn-substituted system exhibits a largest magnetic moment ∼3.5 μB even at a very low impurity concentration. We obtain Curie temperature in excess of room temperature for Mn-substituted system in the impurity concentration of 3.125%, indicating the potential for magnetic storage applications.",

keywords = "Doping, First-principles, Germanene, Magnetic storage, Room temperature ferromagnetism",

author = "Minglei Sun and Qingqiang Ren and Sake Wang and Yajun Zhang and Yanhui Du and Jin Yu and Wencheng Tang",

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T2 - A first-principles study

AU - Sun, Minglei

AU - Ren, Qingqiang

AU - Wang, Sake

AU - Zhang, Yajun

AU - Du, Yanhui

AU - Yu, Jin

AU - Tang, Wencheng

PY - 2016/6/1

Y1 - 2016/6/1

N2 - Previous works have shown that transition-metal doping was usually used to induce magnetism in host. Germanene is the graphene-like germanium nanosheet, which has been synthesized very recently (Dávila et al., 2014). Here we systematically investigate the geometric, electronic and magnetic properties of 3d series transition-metal (Sc-Ni) substitutional doped germanene. We found that the bonding strength of the transition-metal impurities to germanene is rather strong. Magnetism is observed for V, Cr, Mn, Fe and Co doping. Detailed analysis shows that the magnetic moment comes from the localized d orbitals of transition-metal atom. In particular, Mn-substituted system exhibits a largest magnetic moment ∼3.5 μB even at a very low impurity concentration. We obtain Curie temperature in excess of room temperature for Mn-substituted system in the impurity concentration of 3.125%, indicating the potential for magnetic storage applications.

AB - Previous works have shown that transition-metal doping was usually used to induce magnetism in host. Germanene is the graphene-like germanium nanosheet, which has been synthesized very recently (Dávila et al., 2014). Here we systematically investigate the geometric, electronic and magnetic properties of 3d series transition-metal (Sc-Ni) substitutional doped germanene. We found that the bonding strength of the transition-metal impurities to germanene is rather strong. Magnetism is observed for V, Cr, Mn, Fe and Co doping. Detailed analysis shows that the magnetic moment comes from the localized d orbitals of transition-metal atom. In particular, Mn-substituted system exhibits a largest magnetic moment ∼3.5 μB even at a very low impurity concentration. We obtain Curie temperature in excess of room temperature for Mn-substituted system in the impurity concentration of 3.125%, indicating the potential for magnetic storage applications.

KW - Doping

KW - First-principles

KW - Germanene

KW - Magnetic storage

KW - Room temperature ferromagnetism

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JO - Computational Materials Science

JF - Computational Materials Science

ER -

Magnetism in transition-metal-doped germanene: A first-principles study

Abstract

Funding

Keywords

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