A simple electron counting model for half-Heusler surfaces

Kawasaki, Jason K.; Sharan, Abhishek; Johansson, Lotta; Hjort, Martin; Timm, Rainer; Balasubramanian, T.; Schultz, Brian D.; Mikkelsen, Anders; Janotti, Anderson; Palmstrøm, C. J.

doi:10.1126/sciadv.aar5832

Cited by 24 publications

(25 citation statements)

References 39 publications

(64 reference statements)

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“…There is a magnetic interaction between the two X atoms, and they are coupled ferromagnetically or antiferromagnetically with the Y atom. [32] They form a covalent interaction through hybridization with the s and p states of the main-group element Z. The bonding states are well confirmed by the similarly extended X-ray absorption fine structure (EXAFS) spectroscopy between the Co 2 MnGa bulk single crystal and Co foil (Figure S1).…”

Section: Synthesis and Structure Of Heusler Single Crystalsmentioning

confidence: 57%

Magnetocatalysis: The Interplay between the Magnetic Field and Electrocatalysis

Yang

Manna

et al. 2021

CCS Chem

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Magnetic fields are known as clean, economic, and effective tools to modify band and magnetic structures of materials. When coupled with catalytic processes such as hydrogen evolution reaction (HER), it has the potential to control the catalytic efficiencies. However, the underlying mechanism of magneto-catalysis is poorly studied and little understood. Here, we studied the magnetic response of a series of materials as HER catalysts, specifically, ferromagnetic Co 2 VGa, Co 2 MnGa and Ni, ferrimagnetic Mn 2 CoGa, and paramagnetic Pt.We found all the Heusler compounds exhibit impressively high intrinsic activities. Most importantly, the presence of a magnetic field could change the HER efficiencies significantly, regardless of the magnetic states of the catalysts. We observed boosting HER kinetics for ferromagnetic Ni and paramagnetic Pt, and a decrease of efficiency for ferro/ferrimagnetic Heusler alloys. Our calculations suggest that the binding energy between the reaction intermediate and the catalyst can be tailored effectively by controlling the number of transferred electrons. The findings highlight the vital role of magnetic fields in tailoring heterogeneous catalytic reactions that involving adsorption of reactants.

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Section: Synthesis and Structure Of Heusler Single Crystalsmentioning

confidence: 57%

Magnetocatalysis: The Interplay between the Magnetic Field and Electrocatalysis

Yang

Manna

et al. 2021

CCS Chem

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“…1(a)), all films display a characteristic 2× streaky reconstructed surface indicative of smooth epitaxial films. The 2× reconstruction is attributed to Sb dimerization which is well-known for antimonide half-Heusler surfaces [14].…”

Section: Resultsmentioning

confidence: 82%

Structure and magnetism in Fe-doped FeVSb and epitaxial Fe/FeVSb nanocomposite films

Shourov¹,

Zhang²,

Voyles³

et al. 2021

Preprint

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The combination of ferromagnetism and semiconducting behavior offers an avenue for realizing novel spintronics and spin-enhanced thermoelectrics. Here we demonstrate the synthesis of doped and nanocomposite half Heusler Fe1+xVSb films by molecular beam epitaxy. For dilute excess Fe (x < 0.1), we observe a decrease in the Hall electron concentration and no secondary phases in X-ray diffraction, consistent with Fe doping into FeVSb. Magnetotransport measurements suggest weak ferromagnetism that onsets at a temperature of Tc ≈ 5K. For higher Fe content (x > 0.1), ferromagnetic Fe nanostructures precipitate from the semiconducting FeVSb matrix. The Fe/FeVSb interfaces are epitaxial, as observed by transmission electron microscopy and X-ray diffraction. Magnetotransport measurements suggest proximity-induced magnetism in the FeVSb, from the Fe/FeVSb interfaces, at an onset temperature of Tc ≈ 20K.

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“…We find that with decreasing photon energy (increasing surface sensitivity), the Sb 4d core level shows a secondary component with decreased binding energy that is localized to the surface. We attribute this secondary component to surface Sb-Sb dimerization [22]. A proposed model of the surface atomic structure is shown in Fig.…”

mentioning

confidence: 98%

“…For example, while the intrinsic carrier concentration of silicon is n i ∼ 10 10 cm −3 at room temperature, typical experimental carrier concentrations for semiconducting half Heuslers are typically ∼ 10 19 to 10 21 cm −3 due to defects and nonstoichiometry, which are difficult to control to better than 1% [21]. In select cases it has been shown that several Sb-containing Heuslersincluding CoTiSb [22,23], NiMnSb [24,25], LuPtSb [26], LaPtSb [27], and LaAuSb [28] -can be grown with an excess Sb flux, in which the ratio of Sb to (X + Y ) is self-limiting. Since the stoichiometry of one out of three elements is self-limiting, this can be called semi adsorption control.…”

mentioning

confidence: 99%

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Semi-adsorption-controlled growth window for half Heusler FeVSb epitaxial films

Shourov,

Jacobs,

Behn

et al. 2020

Preprint

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A simple electron counting model for half-Heusler surfaces

Abstract: A simple model explains the atomic and electronic structure of Heusler surfaces, supported by experiments and first-principles theory.

Cited by 24 publications

References 39 publications

Magnetocatalysis: The Interplay between the Magnetic Field and Electrocatalysis

Magnetocatalysis: The Interplay between the Magnetic Field and Electrocatalysis

Structure and magnetism in Fe-doped FeVSb and epitaxial Fe/FeVSb nanocomposite films

Semi-adsorption-controlled growth window for half Heusler FeVSb epitaxial films

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