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20 items found (0 items not approved), displaying 1 to 10.[First/Prev] 1, 2 [Next/Last]

Instruments / Technical Area	Publication Details	Published
I09-Surface and Interface Structural Analysis	Characterization of growth and structure of TCNQ phases on Ag(111) P. J. Blowey , A. Haags , L. A. Rochford , J. Felter , D. A. Warr , D. A. Duncan , Tien-lin Lee , G. Costantini , C. Kumpf , D. P. Woodruff Physical Review Materials 3 DOI: 10.1103/PhysRevMaterials.3.116001 Diamond Proposal Number(s): [12975] Show Abstract ▼ Abstract: A combination of scanning tunneling microscopy, low-energy electron diffraction,and low-energy electron microscopy (LEEM) has been used to identify the structural phases formed by 7,7,8,8-tetracyanoquinodimethane (TCNQ) on Ag(111). These comprise a two-dimensional gas phase, a low-density commensurate (LDC) phase, and a higher-density incommensurate (HDI) phase. LEEM also shows the presence of an additional “precursor-HDI” phase with a surface unit mesh area only ≈3% less than the HDI phase. Normal incidence x-ray standing-wave measurements of the HDI phase yield almost identical structural parameters to the LDC phase for which a full structure determination has been previously reported. The results show TCNQ does not adopt the inverted bowl distortion favored in earlier density functional theory calculations of TCNQ on coinage metal surfaces, but the N atoms are twisted out of the molecular plane, an effect found for the LDC phase to be due to incorporation of Ag adatoms. The possible role of Ag adatoms in the HDI phase, and in the transition from the precursor-HDI phase, is discussed.	Nov 2019
I09-Surface and Interface Structural Analysis	Tuning electronic reconstructions at the cuprate-manganite interface C. Schlueter , C. Aruta , N. Yang , A. Tebano , D. Di Castro , G. Balestrino , T.-l. Lee Physical Review Materials 3 DOI: 10.1103/PhysRevMaterials.3.094406 Show Abstract ▼ Abstract: The electronic properties of CaCuO 2 / La 0.7 Sr 0.3 MnO 3 (LSMO) superlattices are determined by the electronic structure of the structural units and in particular their interfaces. The electronic structure of LSMO is governed by a metal-insulator transition, which is controlled by the thickness of the units and the sample temperature, resulting in a systematic downward band shift for metallic samples (i.e., thick LSMO units, low temperature). We present a systematic study of the changes in the valence-band structure and screening features in Mn 2 p and Cu 2 p core-level spectra. The results show that hybridization of Cu 3 d orbitals with out-of-plane O 2 p orbitals can be systematically tuned by controlling the band alignment at the interface via the metal-to-insulator transition of the LSMO units. This opens a new route to rational design of functional interfaces and control of orbital reconstructions.	Sep 2019
I09-Surface and Interface Structural Analysis	Evidence of a second-order Peierls-driven metal-insulator transition in crystalline NbO 2 Matthew J. Wahila , Galo Paez , Christopher N. Singh , Anna Regoutz , Shawn Sallis , Mateusz J. Zuba , Jatinkumar Rana , M. Brooks Tellekamp , Jos E. Boschker , Toni Markurt , Jack E. N. Swallow , Leanne A. H. Jones , Tim D. Veal , Wanli Yang , Tien-lin Lee , Fanny Rodolakis , Jerzy T. Sadowski , David Prendergast , Wei-cheng Lee , W. Alan Doolittle , Louis F. J. Piper Physical Review Materials 3 DOI: 10.1103/PhysRevMaterials.3.074602 Diamond Proposal Number(s): [20647, 21430] Show Abstract ▼ Abstract: The metal-insulator transition of NbO 2 is thought to be important for the functioning of recent niobium oxide-based memristor devices, and is often described as a Mott transition in these contexts. However, the actual transition mechanism remains unclear, as current devices actually employ electroformed NbO x that may be inherently different to crystalline NbO 2 . We report on our synchrotron x-ray spectroscopy and density-functional-theory study of crystalline, epitaxial NbO 2 thin films grown by pulsed laser deposition and molecular beam epitaxy across the metal-insulator transition at ∼ 810 ∘ C . The observed spectral changes reveal a second-order Peierls transition driven by a weakening of Nb dimerization without significant electron correlations, further supported by our density-functional-theory modeling. Our findings indicate that employing crystalline NbO 2 as an active layer in memristor devices may facilitate analog control of the resistivity, whereby Joule-heating can modulate Nb-Nb dimer distance and consequently control the opening of a pseudogap.	Jul 2019
I09-Surface and Interface Structural Analysis	Nontrivial topological valence bands of common diamond and zinc-blende semiconductors Tomáš Rauch , Victor A. Rogalev , Maximilian Bauernfeind , Julian Maklar , Felix Reis , Florian Adler , Simon Moser , Johannes Weis , Tien-lin Lee , Pardeep K. Thakur , Jörg Schäfer , Ralph Claessen , Jürgen Henk , Ingrid Mertig Physical Review Materials 3, 064203 DOI: 10.1103/PhysRevMaterials.3.064203 Diamond Proposal Number(s): [19512] Show Abstract ▼ Abstract: The diamond and zinc-blende semiconductors are well-known and have been widely studied for decades. Yet, their electronic structure still surprises with unexpected topological properties of the valence bands. In this joint theoretical and experimental investigation, we demonstrate for the benchmark compounds InSb and GaAs that the electronic structure features topological surface states below the Fermi energy. Our parity analysis shows that the spin-orbit split-off band near the valence band maximum exhibits a strong topologically nontrivial behavior characterized by the Z 2 invariants ( 1 ; 000 ) . The nontrivial character is a consequence of the nonzero spin-orbit coupling and is imposed by the chosen constituents, in contrast to the conventional topological phase transition mechanism which relies on tuning parameters in the system Hamiltonian. Ab initio-based tight-binding calculations resolve topological surface states in the occupied electronic structure of InSb and GaAs, further confirmed experimentally by soft x-ray angle-resolved photoemission from both materials. Our findings are valid for all other materials whose valence bands are adiabatically linked to those of InSb, i.e., many diamond and zinc-blende semiconductors, as well as other related materials, such as half-Heusler compounds.	Jun 2019
I13-1-Coherence	Coherent diffraction imaging of a progressively deformed nanocrystal Marcus C. Newton , Xiaowen Shi , Ulrich Wagner , Christoph Rau Physical Review Materials 3 DOI: 10.1103/PhysRevMaterials.3.043803 Diamond Proposal Number(s): [10117] Show Abstract ▼ Abstract: Imaging ordered materials with coherent x rays holds great potential to improve our understanding of phenomena in complex materials systems where emergent behavior can arise due to coupling of spin, lattice, and orbital degrees of freedom. Coherent diffractive imaging (CDI) is a lensless imaging technique for probing the structure of materials in three dimensions. Central to the success of the CDI method is the inversion of propagated wave field information to recover a quantitative image of the illuminated crystalline structure. Present challenges faced with existing approaches to image recovery are often due to nonuniqueness of wave propagated forms of the electron density information that can cause prohibitive stagnation of the reconstruction algorithm. Here we report on a major advancement in image recovery that is able to recover the three-dimensional image of a 492 nm gold single crystal undergoing progressive deformation to a highly strained condition without the use of a priori information. Our findings also demonstrate the significance of robust image recovery techniques for revealing high resolution topological structure.	Apr 2019
I05-ARPES	Absence of Dirac fermions in layered BaZnBi 2 S. Thirupathaiah , D. Efremov , Y. Kushnirenko , E. Haubold , T. K. Kim , B. R. Pienning , I. Morozov , S. Aswartham , B. Büchner , S. V. Borisenko Physical Review Materials 3 DOI: 10.1103/PhysRevMaterials.3.024202 Diamond Proposal Number(s): [18586] Show Abstract ▼ Abstract: Using angle-resolved photoemission spectroscopy and density functional theory (DFT) we study the electronic structure of layered BaZnBi2. Our experimental results show no evidence of Dirac states in BaZnBi2 originated either from the bulk or the surface. The calculated band structure without spin-orbit interaction shows linear band dispersions at X along the X−M high-symmetry line. In addition, the calculations suggest a gapless band crossing point along the Γ−M high-symmetry line. However, as soon as the spin-orbit interaction is turned on, the band crossing point is significantly gapped out. These observations suggest that the Dirac fermions in BaZnBi2 are trivial similar to the Dirac states observed in grapheme. The experimental observations are in good agreement with the DFT calculations.	Feb 2019
I09-Surface and Interface Structural Analysis	Insights into the electronic structure of OsO 2 using soft and hard x-ray photoelectron spectroscopy in combination with density functional theory Anna Regoutz , Alex M. Ganose , Lars Blumenthal , Christoph Schlueter , Tien-lin Lee , Gregor Kieslich , Anthony K. Cheetham , Gwilherm Kerherve , Ying-sheng Huang , Ruei-san Chen , Giovanni Vinai , Tommaso Pincelli , Giancarlo Panaccione , Kelvin H. L. Zhang , Russell G. Egdell , Johannes Lischner , David O. Scanlon , David J. Payne Physical Review Materials 3 DOI: 10.1103/PhysRevMaterials.3.025001 Diamond Proposal Number(s): [12673] Show Abstract ▼ Abstract: Theory and experiment are combined to gain an understanding of the electronic properties of OsO2, a poorly studied metallic oxide that crystallizes in the rutile structure. Hard and soft valence-band x-ray photoemission spectra of OsO2 single crystals are in broad agreement with the results of density-functional-theory calculations, aside from a feature shifted to high binding energy of the conduction band. The energy shift corresponds to the conduction electron plasmon energy measured by reflection electron energy loss spectroscopy. The plasmon satellite is reproduced by many-body perturbation theory.	Feb 2019
I19-Small Molecule Single Crystal Diffraction	Origin of skyrmion lattice phase splitting in Zn-substituted Cu 2 OSeO 3 A. Stefancic , S. H. Moody , T. J. Hicken , M. T. Birch , G. Balakrishnan , S. A. Barnett , M. Crisanti , J. S. O. Evans , S. J. R. Holt , K. J. A. Franke , P. D. Hatton , B. M. Huddart , M. R. Lees , F. L. Pratt , C. C. Tang , M. N. Wilson , F. Xiao , T. Lancaster Physical Review Materials 2 DOI: 10.1103/PhysRevMaterials.2.111402 Show Abstract ▼ Abstract: We present an investigation into the structural and magnetic properties of Zn-substituted Cu2OSeO3, a system in which the skyrmion lattice (SkL) phase in the magnetic field–temperature phase diagram was previously seen to split as a function of increasing Zn concentration. We find that splitting of the SkL is only observed in polycrystalline samples and reflects the occurrence of several coexisting phases with different Zn content, each distinguished by different magnetic behavior. No such multiphase behavior is observed in single-crystal samples.	Nov 2018
I09-Surface and Interface Structural Analysis	Layer-resolved band bending at the n − SrTi O 3 ( 001 ) / p − Ge ( 001 ) interface Y. Du , P. V. Sushko , S. R. Spurgeon , M. E. Bowden , J. M. Ablett , T.-l. Lee , N. F. Quackenbush , J. C. Woicik , S. A. Chambers Physical Review Materials 2, 094602 DOI: 10.1103/PhysRevMaterials.2.094602 Diamond Proposal Number(s): [17449] Show Abstract ▼ Abstract: The electronic properties of epitaxial heterojunctions consisting of the prototypical perovskite oxide semiconductor, n − SrTiO 3 , and the high-mobility Group IV semiconductor p -Ge have been investigated. Hard x-ray photoelectron spectroscopy with a new method of analysis has been used to determine band alignment while at the same time quantifying a large built-in potential found to be present within the Ge. Accordingly, the built-in potential within the Ge has been mapped in a layer-resolved fashion. Electron transfer from donors in the n − SrTi O 3 to the p -Ge creates a space-charge region in the Ge resulting in downward band bending, which spans most of the Ge gap. This strong downward band bending facilitates visible light, photogenerated electron transfer from Ge to STO, favorable to drive the hydrogen evolution reaction associated with water splitting. Ti 2p and Sr 3 d core-level line shapes reveal that the STO bands are flat despite the space-charge layer therein. Inclusion of the effect of Ge band bending on band alignment is significant, amounting to a ∼ 0.4 eV reduction in valence band offset compared to the value resulting from using spectra averaged over all layers. Density functional theory allows candidate interface structural models deduced from scanning transmission electron microscopy images to be simulated and structurally optimized. These structures are used to generate multislice simulations that reproduce the experimental images quite well. The calculated band offsets for these structures are in good agreement with experiment.	Sep 2018
I06-Nanoscience	Light control of the nanoscale phase separation in heteroepitaxial nickelates G. Mattoni , N. Manca , M. Hadjimichael , Pavlo Zubko , A. J. H. Van Der Torren , C. Yin , S. Catalano , M. Gibert , F. Maccherozzi , Y. Liu , S. S. Dhesi , A. D. Caviglia Physical Review Materials 2 DOI: 10.1103/PhysRevMaterials.2.085002 Diamond Proposal Number(s): [13081, 10428] Show Abstract ▼ Abstract: Strongly correlated materials show unique solid-state phase transitions with rich nanoscale phenomenology that can be controlled by external stimuli. Particularly interesting is the case of light–matter interaction in the proximity of the metal–insulator transition of heteroepitaxial nickelates. In this work, we use near-infrared laser light in the high-intensity excitation regime to manipulate the nanoscale phase separation in NdNiO3. By tuning the laser intensity, we can reproducibly set the coverage of insulating nanodomains, which we image by photoemission electron microscopy, thus semipermanently configuring the material state. With the aid of transport measurements and finite element simulations, we identify two different timescales of thermal dynamics in the light–matter interaction: a steady-state and a fast transient local heating. These results open interesting perspectives for locally manipulating and reconfiguring electronic order at the nanoscale by optical means.	Aug 2018

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