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  1. Surface structures of magnetostrictive D03-Fe3Ga(0 0 1)

    First-principles total energy calculations and scanning tunneling microscopy experiments were performed to study the surface reconstruction of the magnetostrictive Fe3Ga alloy. The inverse magnetostrictive behavior was evaluated in the bulk by compressing and stretching its lattice parameter, showing an increase in magnetic moments as strain increases. Surface analysis demonstrates two thermodynamically stable surfaces, the (1 × 1) and (3 × 1). The (1 × 1) is an ideal FeGa terminated surface, whereas the (3 × 1) is also FeGa terminated but it has a first-layer Fe atom substituted by a Ga atom every three unit-cells, forming a row-like surface structure.more » Tersoff–Hamann scanning tunneling microscopy simulations were obtained and compared with experimental results. We found good agreement between theory and experiment, in which the distance between rows is ~12.3 Å. Theoretical findings suggest that the substrate-induced strain may increase the stability of the (3 × 1) reconstruction. Analysis of the magnetic moments in the reconstructions showed that their behavior is affected by a surface effect, as well as by the inverse magnetostriction of the structure. A good understanding of the FeGa surface reconstructions is an important step towards further improvements in magnetic storage devices and sensors.« less
  2. Observation of Nanoscale Skyrmions in SrIrO3/SrRuO3 Bilayers

    Skyrmion imaging and electrical detection via topological Hall (TH) effect are two primary techniques for probing magnetic skyrmions, which hold promise for next-generation magnetic storage. However, these two kinds of complementary techniques have rarely been employed to investigate the same samples. We report the observation of nanoscale skyrmions in SrIrO3/SrRuO3 (SIO/SRO) bilayers in a wide temperature range from 10 to 100 K. The SIO/SRO bilayers exhibit a remarkable TH effect, which is up to 200% larger than the anomalous Hall (AH) effect at 5 K, and zero-field TH effect at 90 K. Using variable-temperature, high-field magnetic force microscopy (MFM), wemore » imaged skyrmions as small as 10 nm, which emerge in the same field ranges as the TH effect. These results reveal a rich space for skyrmion exploration and tunability in oxide heterostructures.« less
  3. Structural, electronic and magnetic properties of the MnGa(111)-1 $$\times$$ 2 and 2 $$\times$$ 2 reconstructions: Spin polarized first principles total energy calculations

    In this work, using first principles total energy calculations within the periodic spin polarized density functional theory, we have investigated the structural, electronic, and magnetic properties of manganese gallium (MnGa) alloys. Specifically, we explore the MnGa(111)-1 $$\times$$ 2 and 2 $$\times$$ 2 reconstructions. The surface formation energies reveal that selected substitutions occur under Mn (Ga) rich growth conditions. Structures with top layers missing all Mn (Ga) atoms and two layers deep substitutions are also investigated. However, the formation energy shows that these structures are less favorable. For the stable structures, the magnetic properties per layer are proportional to the Mn:Gamore » ratio. Also, the density of states shows that the MnGa surfaces are metallic. The projected density of states shows that the electronic states in the vicinity of the Fermi level are due mainly to the manganese 3d orbitals. However charge density plots reveal that Mn 3d electrons are closer to the nucleus than Ga sp electrons. Consequently, experimental scanning tunneling microscopy images reveal periodically-arranged bright features, corresponding to the Ga atoms.« less
  4. Structure and magnetism in Ga-rich MnGa/GaN thin films and unexpected giant perpendicular anisotropy in the ultra-thin film limit

    Here, we report structural, surface, and magnetic investigations of ferromagnetic Ga-rich MnGa thin and ultra-thin films grown on semiconducting GaN(0001) using molecular beam epitaxy. The Mn:Ga composition ratio is varied from ≈1 (stoichiometric) to ≈0.42 (very Ga-rich) for different samples. We find that the L10 MnGa phase is preserved down to a Mn:Ga ratio of ≈0.81. As the Ga concentration increases, we observe the coexistence of more Ga-rich phases, namely Mn3Ga5 and Mn2Ga5. Room temperature scanning tunneling microscopy imaging reveals highly epitaxial films, with atomically smooth and highly reconstructed surfaces. Magnetic characterizations show how the magnetic properties evolve with changingmore » composition and that giant perpendicular magnetic anisotropy is induced by reducing the size of our films.« less
  5. Molecular beam epitaxial growth and scanning tunneling microscopy studies of the gallium rich trench line structure on N-polar w-GaN( 000 1 ¯ )

    In addition to the usual set of the well-known reconstructions that have been observed on the N-polar GaN surface, namely 1×1, 3×3, 6×6, and c(6×12), an additional structure is occasionally seen at high Ga coverage, which can extend over a large area of the surface. This structure, which is referred to as trench line structure, is partially ordered and consists of parallel-running dark (trench) lines separating wide and narrow strips of atomically ordered regions. There are also randomly placed defects interrupting the ideal ordering. Reflection high energy electron diffraction and scanning tunneling microscopy in ultrahigh vacuum are applied to investigatemore » this trench line structure on samples prepared using molecular beam epitaxy. It is found that the trench line structure results from annealing the Ga-rich c(6×12) at high temperature followed by quenching to room temperature. By careful comparison of the scanning tunneling microscopy images with those from neighboring c(6×12) regions, it is found that the trench line structure can be decomposed into subunits of the c(6×12). Using these subunits, some simple models for the trench line structure are created. It is proposed that the trench line structure is composed of two primary c(6×12) subunits consisting of first and second layer Ga adatoms and that the trench lines are regions devoid of Ga adatoms, going down to the Ga adlayer.« less
  6. Surface structure of manganese gallium quantum height islands on wurtzite $${\mathbf {GaN}}{\mathbf{(000}}{\bar{\mathbf{1}}})$$ studied by scanning tunneling microscopy

    Submonolayer deposition of manganese on gallium-rich, nitrogen polar \(\hbox {GaN}(000\bar{1})\) surface using radio-frequency nitrogen plasma molecular beam epitaxy leads to the spontaneous formation of manganese gallium into two distinct quantum height islands, 5-layer and 6-layer islands. Atomically resolved scanning tunneling microscopy reveals the atomically flat but unstable 5-layer island surface and the 6-layer island surface with relatively stable row structures. We present here possible surface models for these islands’ surfaces and discuss the clear structural differences explained with strains and partial relaxations. It is discovered that the 5-layer islands form under lateral strains and a relaxation process leading to non-uniformmore » alternating strains results in the more energetically favorable row structures on the 6-layer island.« less
  7. Iron on GaN(0001) pseudo-1 × 1 (1+1/12) investigated by scanning tunneling microscopy and first-principles theory

    We have investigated sub-monolayer iron deposition on atomically smooth GaN(0001) pseudo-1 × 1 (1+1/12). The iron is deposited at a substrate temperature of 360 °C, upon which reflection high energy electron diffraction shows a transformation to a √3 × √3-R30° pattern. After cooling to room temperature, the pattern transforms to a 6 × 6, and scanning tunneling microscopy reveals 6 × 6 reconstructed regions decorating the GaN step edges. Here, first-principles theoretical calculations have been carried out for a range of possible structural models, one of the best being a Ga dimer model consisting of 2/9 monolayer of Fe incorporatedmore » into 7/3 monolayer of Ga in a relaxed but distorted structure.« less
  8. Structural, electronic and magnetic properties of Mn3N2(0 0 1) surfaces

    Spin-polarized first-principles total energy calculations have been performed to study the structural, electronic and magnetic properties of Mn3N2(0 0 1) surfaces. It is found that three surface terminations are energetically stable, in agreement with previous scanning tunneling microscopy experiments that have found three different electronic contrasts in their images. It is also found that in all three cases, the topmost layer has a MnN stoichiometry. Density of states calculations show a metallic behavior for all the stable structures with the most important contribution close to the Fermi level coming from the Mn-d orbitals. Finally, our Tersoff–Hamann scanning tunneling microscopy simulationsmore » are in good agreement with previous experimental results.« less
  9. Heteroepitaxial growth and surface structure of L10-MnGa(111) ultra-thin films on GaN(0001)

    L10-structured MnGa(111) ultra-thin films were heteroepitaxially grown on GaN(0001) under lightly Mn-rich conditions using molecular beam epitaxy. Room-temperature scanning tunneling microscopy (STM) investigations reveal smooth terraces and angular step edges, with the surface structure consisting primarily of a 2x2 reconstruction along with small patches of 1x2. Theoretical calculations were undertaken using density functional theory, and the simulated STM images were calculated using the Tersoff-Hamann approximation, demonstrating that a stoichiometric 1x2 and a Mn-rich 2x2 surface structure give the best agreement with the observed experimental images.

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"Mandru, Andrada-Oana"

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