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  1. Epitaxial columnar growth of strain-free antiferromagnetic Weyl semimetal Mn3Sn on wurtzite c-plane GaN/Al2O3(0001)

    Weyl semimetal thin films with excellent crystalline quality are of great interest for antiferromagnetic spintronics. Mn3Sn is one Weyl semimetal with great properties and promise for exciting science and applications. It has proven very challenging, however, to grow Mn3Sn thin films with smooth surfaces, negligible strain, and excellent crystallinity. In this work, we discuss the successful preparation of epitaxial Mn3Sn (0001)-oriented thin films via molecular beam epitaxial growth on c-plane wurtzite GaN which was grown by MBE on Al2O3 (0001). We present the reflection high energy electron diffraction analysis along with x-ray diffraction in order to demonstrate the crystalline qualitymore » of the film, and we give atomic models to explain the epitaxial orientation relationships between the crystal lattices of the substrate, GaN layer, and Mn3Sn layer. Importantly, we discuss the film lattice parameters as compared to expected values, demonstrating negligible strain both in-plane and out-of-plane. Atomic force microscopy reveals an epitaxial columnar growth mode characterized by flat-top-mesa islands, while scanning tunneling microscopy shows the atomically smooth surfaces of the mesa-top structures. Finally, Rutherford backscattering informs the stoichiometry of the film as well as the layer thicknesses.« less
  2. Experimental and theoretical investigation of the crystalline surface, film, and interface properties of antiperovskite Mn3GaN grown by molecular beam epitaxy on MgO(001)

    Here, we present a study of the epitaxial growth, characterization, and theoretical modeling of thin film antiperovskite Mn3GaN, an antiferromagnetic material with kagome structure which is grown on MgO (001) substrates using N-plasma-assisted molecular beam epitaxy. Reflection high energy electron diffraction is used to assess the in-plane evolution of the film structure during growth, and the surface is investigated in-situ using scanning tunneling microscopy and Auger electron spectroscopy. These results are combined with precision measurements done ex-situ determining the film lattice constants using a combination of x-ray diffraction with reciprocal space mapping and scanning transmission electron microscopy. Overall, a uniform,more » homogeneous film with an atomically smooth vacuum surface and atomically sharp substrate interface is found having very small in-plane tensile strain and mild out-of-plane compressive strain. First-principles theoretical calculations are applied in order to ascertain the lowest energy models for both the Mn3GaN surface and the Mn3GaN/MgO film/substrate interface. Models including MnGa versus MnN surface layers and MnGa versus MnN interfacial layers are considered as functions of both the Mn and Ga chemical potentials. The predictions are discussed in comparison to the experimental results. The overall findings suggest that Mn3GaN on MgO(001) is a viable epitaxial film which can be further explored in connection with antiferromagnetic spintronics.« less
  3. Accommodating a hexagonal ζ- phase Mn2N film on a cubic MgO (001) substrate

    The thin films of c-plane dominated hexagonal ζ- phase Mn2N were successfully grown on a cubic MgO (001) substrate directly using plasma-assisted molecular beam epitaxy. The surface was comprehensively studied through experimental and theoretical approaches. Reflection high energy electron diffraction revealed two pseudo-cubic domains along [100]MgO and [110]MgO, and one hexagonal domain, which is 30° apart from the [100]MgO direction. Scanning tunneling microscopy was used to image and resolve the high-quality surface, revealing a distorted hexagonal surface structure. Furthermore, atomic resolution of the hexagonal domain with a 2 × 2 reconstructed surface is presented. For c-plane surface, theoretical investigations weremore » carried out using first principles studies to determine the surface formation energy for various reconstructed surfaces. The theoretical study shows that the nitrogen terminated 2 × 2 structure with a manganese adatom on the surface as the most stable reconstruction that reproduces the experimental results. A corresponding simulated scanning tunneling microscopy model is also presented, providing strong support for the experimentally observed in-plane lattice structures. Furthermore, the manganese: nitrogen stoichiometry within the bulk and surface is in good agreement with the expected ratio of 2:1.« less
  4. Co-deposition of bismuth-nitrogen films on MgO (001) by molecular beam epitaxy

    Here, we attempted to grow a thin film of BiN by co-deposition of bismuth and nitrogen on rock-salt structure MgO (001) substrates. Furthermore, we studied the effect of variation of the growth temperature and the nitrogen to bismuth flux ratios on sample growth. For the samples grown and conditions used, we do not find strong evidence for the formation of a bulk Bi-N alloy. Even for very high nitrogen to bismuth flux ratio, we observed only bismuth and no nitrogen using bulk Rutherford back-scattering spectroscopy measurements, and only 1%–2% nitrogen was seen through surface Auger electron spectroscopy measurements. The in-planemore » lattice measurements show that the resulting Bi (110) samples are strained, which is presumably caused by lattice mismatch between the sample and the substrate when grown without any buffer layer. The use of a high-temperature buffer layer helps to release strain in the sample but only along one axis. Measurements of the atomic layer spacing using x-ray diffraction and also scanning tunneling microscopy confirm the Bi (110) thin film sample structure.« less
  5. Study of the structure, structural transition, interface model, and magnetic moments of CrN grown on MgO(001) by molecular beam epitaxy

    Structural phase transition is studied in high quality CrN thin films grown by molecular beam epitaxy on MgO(001) substrates. Cross-sectional transmission electron microscopy and x-ray diffraction reveal that the epitaxial relationship between CrN film and MgO substrate is [100]CrN/[100]MgO, [110]CrN/[110]MgO, and [001]CrN/[001]MgO. The films show tensile strain/compression at the CrN/MgO(001) interface, which relaxes gradually with the film growth. Temperature dependent x-ray diffraction measurements show a first-order structural phase transition. In addition to the experimental measurements, first-principles theoretical calculations have been carried out for finding a stable model for the CrN/MgO interface. Furthermore, these calculations determine two possible models for themore » interface, where a monolayer of chromium oxide is formed between the CrN and MgO layers.« less
  6. Molecular beam epitaxy and crystal structure of majority a-plane-oriented and substrate-strained Mn3Sn thin films grown directly on sapphire (0001)

    The Kagome antiferromagnet Mn3Sn has garnered much attention due to the presence of exciting properties such as anomalous Hall and Nernst effects. This paper discusses the synthesis of crystalline Mn3Sn thin films, prepared on Al2O3 (0001) substrates at 453 ± 5°C using molecular beam epitaxy. The growth is monitored in situ using reflection high energy electron diffraction and measured ex situ using x-ray diffraction, Rutherford back-scattering, and cross-sectional scanning transmission electron microscopy. Our analysis shows the in-plane lattice constants of a1,M = 4.117 ± 0.027 Å and a2,M = 4.943 ± 0.033 Å, which is a very unexpected result whenmore » compared to the bulk a-plane Mn3Sn. This indicates a strain in the film and makes it challenging to provide a straightforward explanation. In an effort to explain our results, we discuss two possible orientation relationships between the Mn3Sn films and the sapphire substrates. Samples prepared under these conditions appear to have smooth surfaces locally, but overall the film has a 3D island morphology. First-principles calculations provide atomic models of the Mn3Sn (112¯0) lattice on Al2O3 (0001) high symmetry sites, indicating that the L3-R90° is the most stable configuration. A detailed discussion of the experimental data and theoretical results, as well as strain effects, is provided.« less
  7. Noncollinear magnetic configurations and substrate-mediated interactions in Mn trimers on the GaN (000$$\bar{1}$$) surface

    Collinear and noncollinear calculations based on density functional theory are carried out to elucidate the magnetic ordering of Mn trimers on a GaN ($$000\bar{1}$$) substrate. These trimers had previously been observed in $$3a \times 3a$$ surface reconstructions through Mn deposition onto the N-polar face of wurtzite GaN($$000\bar{1}$$). In this work, we start off by studying the effect of spin orbit coupling for the case of monomers and dimers of Mn atoms on top of a GaN surface. Based on an effective spin Hamiltonian, we estimate the magnetic anisotropy energy (MAE) for those cases and found that it is four ordersmore » of magnitude weaker than the exchange magnetic coupling between Mn adatoms. In the Mn trimer case, the magnetic ground state has the Mn spins in-plane with the GaN surface in which the relative spin orientation within each trimer is noncollinear due to the competition between the two antiferromagnetic interactions that affect each Mn spin in the trimer, which leads to the found energy minimum with 120 degree angles between the spins. By exploring the nature and fundamental mechanisms for the magnetic interaction among the Mn trimers, we find that the surface states of the substrate play a key role, involving a Ruderman-Kittel-Kasuya-Yosida (RKKY)-type interaction. We report on an electron-mediated long-distance exchange coupling between localized magnetic moments on a GaN($$000\bar{1}$$) surface.« less
  8. Local strain-dependent electronic structure and perpendicular magnetic anisotropy of a MnGaN 2D magnetic monolayer

    Local strain-dependent spin-polarized electronic structure of a two-dimensional (2D) magnetic layer is an exciting property for practical applications. For example, it holds the promise for advanced ultrathin spintronic nanodevices with customized electronic and magnetic properties by local strain engineering. Here, we demonstrate that the spin-polarized electronic structure of a 2D manganese gallium nitride (MnGaN-2D) magnetic monolayer is sensitive to intrinsic local lattice strain, as proven by first-principles calculations and indicated by scanning tunneling spectroscopy measurements. Atomic resolution images reveal a highly non-Gaussian lattice spacing/strain distribution, while the spectroscopy reveals variations in the electronic density of states. Simulations of the MnGaN-2Dmore » monolayer based on first-principles calculations, including both isotropic and anisotropic strains, confirm a highly strain-dependent manganese partial density of states. Spin-orbit coupling is included which indicates either out-of-plane perpendicular magnetic anisotropy (PMA) or in-plane magnetic anisotropy, dependent on the type of strain whether compressive or tensile, suggesting that MnGaN-2D is magnetoelastic. The MnGaN-2D PMA is further supported by superconducting quantum interference device magnetometry measurements which reveal a high spin polarization of ~79 % at room temperature.« less
  9. Surface structures of L10-MnGa (001) by scanning tunneling microscopy and first-principles theory

    We report on the surface reconstructions of L10-ordered MnGa (001) thin films grown by molecular beam epitaxy on a 50 nm Mn3N2 (001) layer freshly grown on a magnesium oxide (001) substrate. Scanning tunneling microscopy, Auger electron spectroscopy, and reflection high energy electron diffraction, are combined with first-principles density functional theory calculations to determine the reconstructions of the L10-ordered MnGa (001) surface. We find two lowest energy reconstructions of the MnGa(001) face: a 1×1 Ga-terminated structure and a 1×2 structure with a Mn replacing a Ga in the 1×1 Ga-terminated surface. The 1×2 reconstruction forms a row structure along [100].more » The manganese:gallium stoichiometry within the surface based on the oretical modeling is in good agreement with experiment. Magnetic moment calculations for the two lowest energy structures reveal important surface and bulk effects leading to oscillatory total magnetization for ultra-thin MnGa(001) films.« less
  10. Contribution from Ising domains overlapping out-of-plane to perpendicular magnetic anisotropy in Mn4N thin films on MgO(001)

    Single phase ε-Mn4N thin and ultrathin films are grown on MgO(001) using molecular beam epitaxy. Reflection high-energy electron diffraction and outof-plane x-ray diffraction measurements are taken for each sample in order to determine the in- and out-of-plane strain for each sample. Vibrating sample magnetometry and superconducting quantum interference device measurements, which are performed on the thin and ultrathin films respectively, are used to plot the magnetization of each sample versus both in- and out-of-plane $$\vec H$$-fields and to determine the magnitude of perpendicular magnetic anisotropy in these films. Three significant components of perpendicular magnetic anisotropy are observed in these filmsmore » and are attributed to sample strain (1 component) and shape (2 components). Among these components, the most significant component (0.8 to 4.9 $$\frac{Merg}{cm^3}$$) is identified as a second term of shape anisotropy, which possesses a negative linear relationship with sample thickness over the range from 9 nm to 310 nm. Atomic (magnetic) force microscopy measurements show the presence of a surface localized magnetic polarization (22% to 82%), which increases with decreasing thickness, when the net magnetization of the films is zero. The second term of shape anisotropy as well as the surface localized polarization, which each depend on sample thickness, are each regarded as a consequence of Ising domains overlapping out-of-plane in these films.« less
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