First-principles study on the magnetic and half-metallic properties of the Heusler alloy Ti 2 CoSn (110) surface

Yan, Pengli; Zhang, Jianmin; Xu, Ke

doi:10.1016/j.susc.2015.09.021

Cited by 9 publications

(3 citation statements)

References 35 publications

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“…While for x = 0.50, the lattice constant a = 6.308 Å is not equal to b = c = 6.348, showing a tetragonal symmetry. Our optimized lattice constants are in good agreement with previous available values for Ti 2 FeSn alloy (x = 0.00) [13][14][15][16] and Ti 2 CoSn alloy (x = 1.00) [17][18][19][20][21] as also given in table 1 for comparison. Because there are always eight Ti atoms and four Sn atons in supercell of the full-Heusler alloys Ti 2 Fe 1−x Co x Sn (x = 0.00, 0.25, 0.50, 0.75 or 1.00), we only need to consider the change of the Fe and Co atoms in supercell.…”

Section: Calculation Methods and Modelssupporting

confidence: 89%

“…Dahmane et al [19] explored how Sn doping affected the HM character of the Ti 2 CoAl alloy. We [20,21] also confirmed that the HM character of the bulk Ti 2 CoSn alloy was destroyed in the (110) and (001)-oriented thin films.…”

Section: Introductionsupporting

confidence: 60%

“…Our results show that the (001)oriented thin film with TiFe termination is still unstable, while that with TiSn termination retains stable HM character at x = 0.50 Co-doping concentration. The results about the other low-index oriented thin films of the alloys Ti 2 Fe 1−x Co x Sn (x = 0.00, 0.25, 0.50, 0.75 or 1.00), such as (100)-oriented thin films [3,12,16], (110)-oriented thin films [1,5,20] and (111)oriented thin films [5,6,11,12] will be given out in the next paper. This paper is organized as follows: section 2 is comprised of computational details and structural properties.…”

Section: Introductionmentioning

confidence: 99%

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Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti₂Fe_1−xCo_xSn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

Muhammad

Zhang

Ali

et al. 2020

J. Phys.: Condens. Matter

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Thin films with stable half-metallic (HM) character and 100% spin-polarization (SP) are required to be used in spintronic devices. The HM character has been predicted theoretically in many Heusler alloys thin films and confirmed by experiments. Full-Heusler alloy Ti 2 FeSn has been studied extensively. It has been reported that their (001)-oriented thin films with TiFe or TiSn terminations preserve 100% SP, but the HM character is unstable because the edge of the bandgap is closed to the Fermi level E F . Therefore, we investigate the effects of the Co-doping on the structural, electronic and magnetic properties of the bulk full-Heusler alloys Ti 2 Fe 1−x Co x Sn (x = 0.00, 0.25, 0.50, 0.75 or 1.00) and their (001)-oriented thin films. The bulk Ti 2 Fe 1−x Co x Sn (x = 0.00, 0.25, 0.50, 0.75 or 1.00) alloys are all HM ferromagnets. We investigate twelve possible terminations and show that five of them preserve HM character with 100% SP at the Fermi level E F , while in the remaining seven, surface states emerge in the spin-down channel at the Fermi level E F , significantly reducing their SP. The Co-doping significantly increases the stability of the TiSn slab, also increases its spin-down bandgap E ↓ g and HM gap E HM g at x = 0.50. The stable HM character makes it is a slab of maximum benefit in the applications of spintronic devices, especially in magnetic tunnel junctions.

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Section: Calculation Methods and Modelssupporting

confidence: 89%

Section: Introductionsupporting

confidence: 60%

Section: Introductionmentioning

confidence: 99%

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Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti₂Fe_1−xCo_xSn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

Muhammad

Zhang

Ali

et al. 2020

J. Phys.: Condens. Matter

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First-principles study on the structural, electronic and optical properties in bulk and surfaces of full-Heusler alloy X2CoGa (X = Ti, Hf)

et al. 2020

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First-principles study on the structural, electronic, and magnetic properties in (001) and (110) surfaces of quaternary Heusler alloy TiZrCoAl

Yang

Feng

Jian-min

2019

Materials Chemistry and Physics

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First-principles study on the magnetic and half-metallic properties of the Heusler alloy Ti 2 CoSn (110) surface

Cited by 9 publications

References 35 publications

Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti₂Fe_1−xCo_xSn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti₂Fe_1−xCo_xSn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

First-principles study on the structural, electronic and optical properties in bulk and surfaces of full-Heusler alloy X2CoGa (X = Ti, Hf)

First-principles study on the structural, electronic, and magnetic properties in (001) and (110) surfaces of quaternary Heusler alloy TiZrCoAl

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First-principles study on the magnetic and half-metallic properties of the Heusler alloy Ti 2 CoSn (110) surface

Cited by 9 publications

References 35 publications

Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti2Fe1−x Co x Sn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti2Fe1−x Co x Sn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

First-principles study on the structural, electronic and optical properties in bulk and surfaces of full-Heusler alloy X2CoGa (X = Ti, Hf)

First-principles study on the structural, electronic, and magnetic properties in (001) and (110) surfaces of quaternary Heusler alloy TiZrCoAl

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Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti₂Fe_1−xCo_xSn (x=0.00, 0.25, 0.50, 0.75 or 1.00)

Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti₂Fe_1−xCo_xSn (x=0.00, 0.25, 0.50, 0.75 or 1.00)