physica status solidi (b)

Cover image for Vol. 250 Issue 8

August 2013

Volume 250, Issue 8

Pages 1463–1664

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. You have free access to this content
      Process simulation of hydrogen intercalation in epitaxial graphene on SiC(0001)

      Ioannis Deretzis and Antonino La Magna

      Version of Record online: 12 AUG 2013 | DOI: 10.1002/pssb.201370552

      Thumbnail image of graphical abstract

      The simulation of processes is a fundamental feature of the technological computer-aided design, aiming at a fast and costless development of hi-tech products. Its extension to graphene could be essential for the predictive control of innovative technologies based on this material. In their work, I. Deretzis and A. La Magna (pp. 1478–1482) demonstrate an example of such computational methodology, applied to the study of the intercalation steps for epitaxial graphene exposed to a hydrogen-rich gaseous ambient. The simulation framework is a super-lattice event-driven Kinetic Monte Carlo algorithm appropriately formulated with ab initio energetics. The algorithm simulates atom-by-atom the kinetic stages leading to the formation of the intercalated layer, starting from the carbon buffer layer of the graphene/SiC(0001) interface. The dependence of the process timeline is investigated with respect to the process parameters (temperature, hydrogen fl ux) and the concentration of surface defects prior to intercalation. Results complement the experiment and could serve as guidelines for future works on post-growth engineering of epitaxial graphene on SiC.

  2. Back Cover

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. You have free access to this content
      Atomistic simulations on the mechanical properties of silicene nanoribbons under uniaxial tension

      Yuhang Jing, Yi Sun, Hongwei Niu and Jun Shen

      Version of Record online: 12 AUG 2013 | DOI: 10.1002/pssb.201370553

      Thumbnail image of graphical abstract

      In the article by Yuhang Jing et al. (pp. 1505–1509), the chirality and size effects on the mechanical properties of silicene nanoribbons are investigated based on atomistic simulation. Compared with ab initio calculations, the EDIP model of bulk silicene gives a more accurate Young's modulus than other empirical potentials. The chirality has a signifi cant effect on the critical strain and stress of bulk silicene under uniaxial tension. In addition, compared to zigzag edge, the armchair edge is weaker and has bigger effects on the Young's modulus of silicene nanoribbons when the nanoribbon width is smaller, which results in signifi cantly size- and chirality-dependent Young's modulus of silicene nanoribbons. The fracture process of a silicene nanoribbon shows that as the strain increases to a certain value, sliding occurs and many atoms rearrange in the neck region. The deformation mechanism of the shearing action is similar to that of silicon nanowire. After the formation of the neck, plastic deformations mainly happen through the reconstruction and rearrangement of the neck region. Further theoretical and experimental studies are needed to investigate the mechanical properties of this new two-dimensional silicon nanomaterial.

  3. Issue Information

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. You have free access to this content
      Issue Information

      Version of Record online: 12 AUG 2013 | DOI: 10.1002/pssb.201370554

  4. Contents

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. You have free access to this content
      Contents

      Version of Record online: 12 AUG 2013 | DOI: 10.1002/pssb.201370555

  5. Recent and forthcoming publications in pss

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. You have free access to this content
      Recent and forthcoming publications in pss

      Version of Record online: 12 AUG 2013 | DOI: 10.1002/pssb.201370556

  6. Original Papers

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. Graphene, nanotubes and related materials

      Charge transport in surfactant-free single walled carbon nanotube networks (pages 1463–1467)

      Shrividya Ravi, Alan B. Kaiser and Christopher W. Bumby

      Version of Record online: 25 JUL 2013 | DOI: 10.1002/pssb.201300033

    2. Thermoelectric properties of single walled carbon nanotube networks in polycarbonate matrix (pages 1468–1473)

      Mingxing Piao, Gyutae Kim, Gary P. Kennedy, Siegmar Roth and Urszula Dettlaff-Weglikowska

      Version of Record online: 10 JUN 2013 | DOI: 10.1002/pssb.201200908

    3. Stability and electronic structure of covalently functionalized graphene layers (pages 1474–1477)

      Karolina Z. Milowska and Jacek A. Majewski

      Version of Record online: 25 JUL 2013 | DOI: 10.1002/pssb.201200912

    4. Novel mechanism of damage introduction into carbon nanotubes caused by irradiation in gas medium (pages 1488–1491)

      Boris A. Danilchenko, Nikolay A. Tripachko, Irina Y. Uvarova and Ivan I. Yaskovets

      Version of Record online: 19 JUL 2013 | DOI: 10.1002/pssb.201200976

    5. Regular contributions

      Order–disorder processes in adamantine ternary ordered-vacancy compounds (pages 1496–1504)

      F. J. Manjón, O. Gomis, R. Vilaplana, J. A. Sans and H. M. Ortiz

      Version of Record online: 26 MAR 2013 | DOI: 10.1002/pssb.201248596

    6. Structural, electronic, and magnetic properties of the period vacancy in zigzag GaN nanoribbons (pages 1510–1518)

      Guo-Xiang Chen, Dou-Dou Wang, Jian-Min Zhang and Ke-Wei Xu

      Version of Record online: 24 APR 2013 | DOI: 10.1002/pssb.201349124

    7. Work function and Young's modulus of platinum nanotubes: Density functional study (pages 1519–1525)

      Monoj Das, Prajna Mukherjee, Shyamal Konar and Bikash C. Gupta

      Version of Record online: 24 MAY 2013 | DOI: 10.1002/pssb.201248594

    8. Interface structural stability of Zr on the AIN(0001) surface: An ab-initio study (pages 1526–1531)

      Gene E. Escorcia-Salas, Jagger Rivera-Julio, William López-Pérez, Rafael González-Hernández and José Sierra-Ortega

      Version of Record online: 15 APR 2013 | DOI: 10.1002/pssb.201248541

    9. Kinetic Monte Carlo simulations of excitation density dependent scintillation in CsI and CsI(Tl) (pages 1532–1540)

      Zhiguo Wang, Richard T. Williams, Joel Q. Grim, Fei Gao and Sebastien Kerisit

      Version of Record online: 11 MAR 2013 | DOI: 10.1002/pssb.201248587

    10. Piezoelectric behavior in Sr1 − xBaxBi2Nb2O9 Aurivillius-type structure ferroelectric ceramics (pages 1551–1555)

      Y. González-Abreu, A. Peláiz-Barranco, J. D. S. Guerra and P. Saint-Grégoire

      Version of Record online: 11 MAR 2013 | DOI: 10.1002/pssb.201248413

    11. The energies of the substitutional impurities in graphene (pages 1556–1562)

      K. Sierański and J. Szatkowski

      Version of Record online: 12 MAR 2013 | DOI: 10.1002/pssb.201248312

    12. Rashba spin–orbit interaction effect on multiphoton optical transitions in a quantum dot (pages 1585–1591)

      Manoj Kumar, Siddhartha Lahon, Pradip Kumar Jha and Man Mohan

      Version of Record online: 2 APR 2013 | DOI: 10.1002/pssb.201248449

    13. Magnetic phase transition and relaxation effects in lithium iron phosphate (pages 1599–1605)

      Y. Sundarayya, Ajay Kumar Mishra, Richard A. Brand, Horst Hahn, C. Bansal and C. S. Sunandana

      Version of Record online: 2 APR 2013 | DOI: 10.1002/pssb.201248452

    14. Comparison of defect processes in REAlO3 perovskites and RE3Al5O12 garnets (pages 1624–1631)

      Ankoor P. Patel, Chris R. Stanek and Robin W. Grimes

      Version of Record online: 10 APR 2013 | DOI: 10.1002/pssb.201248583

    15. Application of external tensile and compressive strain on a single layer InAs/GaAs quantum dot via epitaxial lift-off (pages 1632–1635)

      K. M. Omambac, J. G. Porquez, J. Afalla, D. Vasquez, M. H. M. Balgos, R. Jaculbia, A. S. Somintac and A. A. Salvador

      Version of Record online: 15 APR 2013 | DOI: 10.1002/pssb.201248573

    16. Enhanced many-body effects in one-dimensional linear atomic chains (pages 1636–1643)

      Ruixiang Fei, Guangfu Luo, Yangyang Wang, Zhengxiang Gao, Shigeru Nagase, Dapeng Yu and Jing Lu

      Version of Record online: 17 APR 2013 | DOI: 10.1002/pssb.201248087

    17. Electronic, dielectric, and optical properties of the B phase of niobium pentoxide and tantalum pentoxide by first-principles calculations (pages 1644–1650)

      Santiago Pérez-Walton, Camilo Valencia-Balvín, Gustavo M. Dalpian and Jorge M. Osorio-Guillén

      Version of Record online: 17 APR 2013 | DOI: 10.1002/pssb.201248577

    18. Formation of the magnetic fractal structure in Co[BOND]SiO2 granular nanocomposite system at percolation threshold (pages 1656–1662)

      E. B. Dokukin, R. V. Erhan, A. Kh. Islamov, M. E. Dokukin, N. S. Perov and E. A. Gan'shina

      Version of Record online: 22 APR 2013 | DOI: 10.1002/pssb.201248379

  7. Information for authors

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Original Papers
    8. Information for authors
    1. You have free access to this content
      Information for authors (pages 1663–1664)

      Version of Record online: 12 AUG 2013 | DOI: 10.1002/pssb.201370557

SEARCH

SEARCH BY CITATION