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Physica status solidi. PSS. B, Basic solid state p... 21건

  1. [해외논문]   Field‐Polarity‐Dependent Domain Growth in Epitaxial BaTiO3 Films  

    Roth, Robert (Institute of Physics, Martin Luther University Halle‐Wittenberg, 06099 Halle, Germany) , Guo, Er‐ (Institute of Physics, Martin Luther University Halle‐Wittenberg, 06099 Halle, Germany) , Jia (State Key Laboratory of Low‐Dimensional Quantum Physics, Department of Physics, Tsinghua University, 100084 Beijing, China) , Rafique, Mohsin (Institute of Physics, Martin Luther University Halle‐Wittenberg, 06099 Halle, Germany) , Dö , rr, Kathrin
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700486 , 2018 , 0370-1972 ,

    초록

    The growth of circular tip‐induced domains has been studied in epitaxial BaTiO 3 (BTO) films as a function of writing voltage and time using piezoresponse force microscopy (PFM). While abundant for Pb(Zr,Ti)O 3 (PZT) films, such studies are rare for BTO. Strong relaxation of written domains is observed in the form of reduction of the PFM amplitude inside the area of written domains which occurs additionally to a decrease of the domain radius. The domain wall velocity observed for negative tip voltage is systematically smaller than that for positive tip voltage. Based on maps of the positive and negative switching fields, the effective driving field for both polarities has been estimated. The polarity‐dependent effective field cannot account for the different velocities, indicating a polarity‐dependent mobility of the domain walls.

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  2. [해외논문]   Analytic Theory of Wannier–Stark Quantization in Arbitrary‐Size Atomic Square Lattices  

    Onipko, Alexander (Laboratory for Quantum Theory in Linköping, 587 35 Linköping, Sweden) , Malysheva, Lyuba (Laboratory for Quantum Theory in Linköping, 587 35 Linköping, Sweden)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700558 , 2018 , 0370-1972 ,

    초록

    The theory of electron energy quantization in an N atom long chain affected by a homogeneous electric field Ee is extended to the 2D case of N atom long and N atom wide conductor with the lattice constant a . The conductor is modeled by the standard one‐parameter tight‐binding Hamiltonian (hopping integral t ) of an atomic rectangular square lattice, where the change of electron site energy from atom to atom across the conductor equals (in |t| units) to electric field parameter ae Ee /|t| (efp). Each field‐provoked level Eμ (transverse μ ‐mode energy) is shown giving rise to the μ th subband of field‐independent levels of extended states due to the electron resonant transfer in the longitudinal direction perpendicular to the electric field. The level spacing and, hence, the width of μ subbands, is dictated by the conductor width and hopping integral t . The spectra of arbitrary‐size atomic square lattices are classified in terms of subband center spacing (SBCS) within the transverse‐mode bands of extended states, edge‐localized states, and Wannier–Stark states. We identified special cases of integer and fractional SBCS quantization in efp‐portions and found the exact and/or highly accurate explicit approximate expressions for the weighted number of states within these bands. The presented novel results clarify and correct their analogs reported previously.

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  3. [해외논문]   Characterization of d and f Electronic States in RSn1.1Ge0.9 (R = Gd, Tb) Compounds by Optical Spectroscopy and Electronic‐Structure Calculations  

    Knyazev, Yury V. (Institute of Metal Physics UD of RAS, S. Kovalevskoy 18, 620108 Ekaterinburg, Russia) , Lukoyanov, Alexey V. (Institute of Metal Physics UD of RAS, S. Kovalevskoy 18, 620108 Ekaterinburg, Russia) , Kuz'min, Yury I. (Institute of Metal Physics UD of RAS, S. Kovalevskoy 18, 620108 Ekaterinburg, Russia) , Gupta, Sachin (Department of Physics, Indian Institute of Technology Bombay, Mumbai‐400076, India) , Suresh, Krishna G. (Department of Physics, Indian Institute of Technology Bombay, Mumbai‐400076, India)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700579 , 2018 , 0370-1972 ,

    초록

    This paper presents the results of investigations of the electronic structure and optical properties of the GdSn 1.1 Ge 0.9 and TbSn 1.1 Ge 0.9 compounds. Employing the local spin density approximation accounting for strong electronic correlations in the 4 f ‐shell of rare‐earth ions, that is the LSDA + U method, we carry out the spin‐polarized calculations of band structure. In a broad range of wavelengths the optical constants of the compounds are measured by an ellipsometry method. A number of spectral and electronic characteristics are calculated. Based on the calculated density of states the structural features of optical conductivity for the investigated intermetallic compounds are interpreted in the region of interband absorption.

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  4. [해외논문]   Quantum Confinement and Surface Effects on the Itinerant Ferromagnetism in Ni and Ni–Fe Nanowire Arrays: An Ab Initio Study  

    Ziti, Ikram (Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, CDMX, 04510, Mexico) , Britel, Mohammed Ré (Laboratory of Innovative Technology, National School of Applied Sciences, Abdelmalik Essaâdi University, Tangier, Morocco) , da (Laboratory of Innovative Technology, National School of Applied Sciences, Abdelmalik Essaâdi University, Tangier, Morocco) , Bouajaj, Adel (Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, CDMX, 04510, Mexico) , Wang, Chumin
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700618 , 2018 , 0370-1972 ,

    초록

    Coordination number reduction of surface atoms and spatial confinement of itinerant electrons are decisive factors in the nano‐ferromagnetism. Impacts of these factors on the ferromagnetic moments of Ni and Ni–Fe nanowire (NW) arrays are quantified by means of the density functional theory through both atomic‐orbital and plane‐wave approaches. A systematic study of the wire diameter, interwire distance and chemical composition on the magnetic properties were carried out in eight thin nanowires to investigate the limiting cases of confinement and surface effects. The results reveal a growth of the magnetic moment when the wire diameter diminishes, due to the decrease of average coordination number which reduces the 3d electronic band width and then a larger spin population contrast. This fact is consistent with experimental data obtained from Ni nanoparticles and NWs. Moreover, we found a critical interwire distance, which is the minimum separation that maintains the individual NW magnetic moment. Finally, both local and global magnetic moments of Ni–Fe NWs obtained from the ab initio calculations are compared with experimental ones and a good consistency is observed.

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  5. [해외논문]   Photoluminescence and EPR of In‐Doped ZnO Superlattice Nanorods  

    Yang, Qianhui (Key Laboratory of Strongly‐Coupled Matter Physics, Chinese Academy of Sciences, Hefei National Laboratory for Physical Science at Microscale, and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China) , Lou, Liren (Key Laboratory of Strongly‐Coupled Matter Physics, Chinese Academy of Sciences, Hefei National Laboratory for Physical Science at Microscale, and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China) , Wang, Guanzhong (Key Laboratory of Strongly‐Coupled Matter Physics, Chinese Academy of Sciences, Hefei National Laboratory for Physical Science at Microscale, and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700651 , 2018 , 0370-1972 ,

    초록

    In 2 O 3 (ZnO) m (IZO) superlattice nanorods are synthesized via a chemical vapor transport method. By comparing the photoluminescence (PL) and electron paramagnetic resonance (EPR) spectral changes of the IZO nanorods under different annealing atmospheres, it is found that the deep level emissions could be attributed to V Zn / V Zn ‐related acceptor defects ( V Zn ‐R), or O i /O i ‐R defects. The EPR spectrum of the IZO nanorods shows two EPR signals in a region near g ≈1.96, i.e., at g = 1.9524 and 1.9443, which come from VZn− and InZn0 defects, respectively. The intensities of the g ≈1.96 lines gradually decrease after continuous illumination by white light, and increase to their starting value after the light is switched off, showing a well‐reversible process. The EPR signal change under illumination reveals that initially the defects of VZn− and InZn0 are in paramagnetic charge state, and a two‐charge‐state model is suggested to interpret the photoexcitation kinetic of V Zn involved.

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  6. [해외논문]   Structural Stability, Electronic, and Optical Properties of BiVO4 With Oxygen Vacancy Under Pressure  

    Huang, Yuhong (School of Physics & Information Technology, Shaanxi Normal University, Xi'an 710119, China) , Yuan, Yun (School of Physics & Information Technology, Shaanxi Normal University, Xi'an 710119, China) , Ma, Fei (State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China) , Zhang, Zongquan (School of Physics & Information Technology, Shaanxi Normal University, Xi'an 710119, China) , Wei, Xiumei (School of Physics & Information Technology, Shaanxi Normal University, Xi'an 710119, China) , Zhu, Gangqiang (School of Physics & Information Technology, Shaanxi Normal University, Xi'an 710119, China)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700653 , 2018 , 0370-1972 ,

    초록

    In this paper, first‐principles calculations are performed to investigate the elastic constants, structural stability, electronic properties, and optical properties of ideal BiVO 4 and BiVO 4 with oxygen vacancy (Vo‐BiVO 4 ) under equivalent hydrostatic and z‐axial pressure. It is found that the structural stability of the material is not affected and the indirect band‐gap is well kept in BiVO 4 and Vo‐BiVO 4 , independent of the applied pressure. Essentially, as the equivalent hydrostatic and z‐axial pressure is increased, the hybridization of O 2p, V 3d, and Bi 6s orbitals will be enhanced in the ideal BiVO 4 , while the hybridization of O 2p, V 3d, and Bi 6p orbitals is enhanced in Vo‐BiVO 4 . Moreover, the band edges are shifted to lower energies under pressure, resulting in substantially reduced band gap, which might facilitate the photocatalytic performance. The shape of the optical spectrum of ideal BiVO 4 displays an exponential form while that of Vo‐BiVO 4 shows leaf‐like form in the low energy range, although they have similar shapes in the whole energy range. The absorption amount increases with the increase of z‐axial pressure, which might improve the visible light absorption.

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  7. [해외논문]   Plasmon Modes in Bilayer–Monolayer Graphene Heterostructures  

    Nguyen, Quoc Khanh (University of Science −) , Nguyen Van, Men (VNUHCM, 227‐Nguyen Van Cu Street, 5th District, Ho Chi Minh City, Viet Nam)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700656 , 2018 , 0370-1972 ,

    초록

    We investigate the dispersion relation and damping of plasmon modes in a bilayer–monolayer graphene heterostructure with carrier densities nBLG and nMLG at zero temperature within the random‐phase‐approximation taking into account the nonhomogeneity of the dielectric background of the system. We derive analytical expressions for plasmon frequencies by using long wavelength expansion of response and bare Coulomb interaction functions. We show that the optical plasmon dispersion curve of the bilayer–monolayer system lies slightly below that of double‐layer graphene (DLG) and the acoustic one lies much lower than that of DLG. We find that while decay rates of acoustic modes of the system and DLG are remarkably different, those of optical modes in both double‐layer systems are similar. Except the damping rate of acoustic mode, the properties of plasmon excitations in the considered system depend remarkably on the interlayer distance, inhomogeneity of the background, density ratio nMLG / nBLG and spacer dielectric constant, especially at large wave‐vectors.

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  8. [해외논문]   Carbon Ordering in Martensite Lattice Under External Stress: Thermodynamic Theory and Molecular Dynamics Simulation  

    Chirkov, Pavel (Department of computer modeling and nanotechnology, South Ural State University, Lenina av. 76, 454080 Chelyabinsk, Russia) , Mirzoev, Alexander (Department of computer modeling and nanotechnology, South Ural State University, Lenina av. 76, 454080 Chelyabinsk, Russia) , Mirzaev, Dzhalal (Department of computer modeling and nanotechnology, South Ural State University, Lenina av. 76, 454080 Chelyabinsk, Russia)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700665 , 2018 , 0370-1972 ,

    초록

    Rapid cooling of the Fe–C fcc solution leads to the formation of a phase called martensite, which has high mechanical properties. It is well known that under stress a martensite has the ability to plastically deform within a small range, despite the large value of the macroscopic yield strength. This effect is explained in different ways, mainly on the basis of dislocation theory. We study the impact of external stress on ordering of interstitial atoms in Fe–C solid solutions and formation of tetrahedral distortion of martensite lattice. Molecular dynamics with embedded atom (EAM) interatomic potential is used. According to the simulations, interstitial carbon atoms migrate under external stress applied along the tetragonality direction from z‐sublattice, and tetrahedral distortion of lattice changes its orientation to other ones when the stress exceeds some critical value. This result enables us to justify a new look at the nature of the martensite plastic deformation. The influence of temperature and carbon content on the critical stress value is investigated.

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  9. [해외논문]   Lithium Hexastannate: A Potential Material for Energy Storage  

    Zulueta, Yohandys A. (Facultad de Ciencias Naturales y Exactas, Departamento de Fisica, Universidad de Oriente, CP 90500, Santiago de Cuba, Cuba) , Nguyen, Minh Tho (Computational Chemistry Research Group, Ton Duc Thang University, Ho Chi Minh City, Vietnam)
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700669 , 2018 , 0370-1972 ,

    초록

    The prediction of a new lithium compound, Li 2 Sn 6 O 13 , is made from a combined first‐principles and classical force‐field approach. The electronic, structural, and mechanical properties of monoclinic Li 2 SnO 3 , Li 2 Ti 6 O 13 , and Li 2 Sn 6 O 13 are explored. The calculated results for the equilibrium lattice parameters are in agreement with the available experimental data. The thermodynamic stabilities of Li 2 Ti 6 O 13 and Li 2 Sn 6 O 13 are evaluated. Both compounds are demonstrated to be thermodynamically stable with standard molar formation enthalpies of −5553 and −6740 kJ mol −1 , respectively. Reaction energies for delithiation of 6.41 and 6.90 eV atom −1 are also determined for Li 2 Sn 6 O 13 and Li 2 Ti 6 O 13 , respectively. The predicted voltage of Li insertion/extraction process per Li + /Li is 1.6 V for Li 2 Sn 6 O 13 , comparable to its isostructural counterpart Li 2 Ti 6 O 13 . Electronic band structure calculations indicate the insulating character of Li 2 SnO 3 with an indirect band gap of 4.4 eV, whereas both Li 2 Ti 6 O 13 and Li 2 Sn 6 O 13 appear to be semiconductor compounds with band gaps of 3.1 and 3.0 eV, respectivley. The energy barriers for Li + migration amount to ≈0.5 eV for both materials. Elastic stiffness coefficients and bulk, shear and Young's moduli were also calculated. The Li 2 Sn 6 O 13 derivative is mechanically stable and can be predicted to be a brittle compound that is more resistant to volume change than Li 2 Ti 6 O 13 . If the Li 2 Sn 6 O 13 compound could experimentally be prepared by using ion exchange, it could potentially be an efficient material for anodes in lithium‐ion batteries.

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  10. [해외논문]   Negative‐U Properties of the Deep Level E3 in ZnO  

    Pickenhain, Rainer (Universität Leipzig, Felix‐Bloch‐Institut für Festkörperphysik, Linnéstraße 5, 04103 Leipzig, Germany) , Schmidt, Matthias (Helmholtz‐Zentrum für Umweltforschung GmbH, Abteilung Isotopenbiogeochemie, Permoserstraße 15, 04318 Leipzig, Germany) , von Wenckstern, Holger (Universität Leipzig, Felix‐Bloch‐Institut für Festkörperphysik, Linnéstraße 5, 04103 Leipzig, Germany) , Benndorf, Gabriele (Universität Leipzig, Felix‐Bloch‐Institut für Festkörperphysik, Linnéstraße 5, 04103 Leipzig, Germany) , Pö (Universität Leipzig, Felix‐Bloch‐Institut für Festkörperphysik, Linnéstraße 5, 04103 Leipzig, Germany) , ppl, Andreas (Universität Leipzig, Felix‐Bloch‐Institut für Festkörperphysik, Linnéstr) , Bö , ttcher, Rolf , Grundmann, Marius
    Physica status solidi. PSS. B, Basic solid state physics v.255 no.7 ,pp. 1700670 , 2018 , 0370-1972 ,

    초록

    The deep level E3 is a commonly observed defect in bulk crystals and thin films of ZnO independently of the method of growth. Its chemical origin is still not finally understood. In this paper, previous research on the E3 level is reviewed and recent experimental results acquired by optical deep level transient spectroscopic (DLTS) methods are presented for the temperature range from 4 to 350 K, for photon energies between 0.25 and 4 eV, and for emission rates ranging from 10 −3 to 10 4 s −1 . The capture cross section of the optical transition of E3‐trapped electrons into the conduction band is described. Additionally, a second optical transition occurs for photon energies higher than 1 eV, which accounts for the lowering of the E3 DLTS signal at low temperatures under illumination. Further, it is unambiguously shown that the E3 defect can bind up to two electrons and that it has the properties of a negative‐ U center. Photoluminescence measurements reveal that the E3 defect is directly connected to a radiative recombination channel at 2.09 eV. Further, electron paramagnetic resonance (EPR) measurements were performed with optical excitation in dependence on the temperature and photon energy. Interestingly, the temperature‐dependent EPR signal of VO+ is similar to that of the photo‐ionization cross‐section of the E3 defect. These experimental findings are discussed in comparison with published EPR results and results obtained by first‐principle calculations of native point defects in ZnO.

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