Tunable magnetic ground states of iron monolayer on nonmagnetic metallic substrates by small in-plane strains.

Tunable magnetic ground states of iron monolayer on nonmagnetic metallic substrates by small in-plane strains.
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通过小面内应变可调节非磁性金属基底上铁单层的磁性基态

DOI:
10.1039/c9ra08541f
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发表时间:
2019-12-09
期刊:
影响因子:
3.9
通讯作者:
--
中科院分区:
化学3区
文献类型:
--
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用第一性原理计算方法系统地研究了应变作用下4d和5d双金属上外延生长的铁单原子层的磁状态。我们的研究结果表明,在没有应变的情况下,不同的4d和5d金属上的铁显示出不同的反铁磁或铁磁基态:Rh上的平行反铁磁基态(p-AFM)和Ir上的中心反铁磁基态(c-AFM)和Pd,Ag,Pt和Au上的铁磁基态(FM)。然而,当在衬底上引入面内双轴和单轴应变(Δεxx)时,可以容易地操纵铁的基态。具体地,对于双轴应变,当Δεxx <-2.0%时,Rh衬底上的铁的基态变为FM,当Δεxx > 0.8%时,铁的基态变为c-AFM,并且在Ir衬底上,当Δεxx <-2.8%时,铁的基态变为FM,当Δεxx >-0.8%时,铁的基态变为c-AFM。然而,对于沿着x方向的单轴应变,当使用相应的泊松比来确定沿沿着y方向的应变时,Rh衬底上的铁的基态保持p-AFM状态,但在Ir衬底上,铁的基态从c-AFM变为p-AFM,分别为沿x方向的Δεxx = 0.2%或Δεxx =-0.3%沿着。
The magnetic states of one single atomic layer of iron epitaxially grown on 4d and 5d nonmagnetic metals are studied under strain systematically using first principle calculations. Our results show that, without strain, the iron on top of different 4d and 5d nonmagnetic metals shows distinct antiferromagnetic or ferromagnetic ground states: a parallel antiferromagnetic ground state (p-AFM) on Rh and a central antiferromagnetic ground state (c-AFM) on Ir and ferromagnetic (FM) ground state on Pd, Ag, Pt and Au. However, when introducing in-plane biaxial and uniaxial strain (Δεxx) on the substrates, the ground state of iron can be manipulated easily. In detail, for biaxial strain, the ground state of iron on an Rh substrate becomes FM when Δεxx < −2.0% and c-AFM when Δεxx > 0.8%, and on an Ir substrate, the ground state of iron becomes FM when Δεxx < −2.8% and c-AFM when Δεxx > –0.8%. However, for the uniaxial strain along the x direction, while using the corresponding Poisson's ratios to determine the strain along the y direction, the ground state of iron on an Rh substrate remains the p-AFM state, but on an Ir substrate, the ground state of iron changes from c-AFM to p-AFM at Δεxx = 0.2% or Δεxx = −0.3% along the x direction respectively.
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