physica status solidi (b)

Cover image for Vol. 248 Issue 6

June 2011

Volume 248, Issue 6

Pages 1289–1539

  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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Front Cover: Formation energies of point defects at fi nite temperatures (Phys. Status Solidi B 6/2011)

      B. Grabowski, T. Hickel and J. Neugebauer

      Article first published online: 24 MAY 2011 | DOI: 10.1002/pssb.201190017

      Thumbnail image of graphical abstract

      The cover picture shows schematically the essence of the Feature Article by Grabowski et al. (pp.1295–1308). The main idea is that upon building on the fundamentals of fi rst principles theories, such as density functional theory, one can arrive at highly accurate fi nite temperature materials properties, such as for instance point defects (vacancies) which are the main issue in this article. The premise is that one has accurate and effi cient methods available which allow to treat the various physical excitation mechanisms as illustrated by the “bricks” in the picture. These methods are discussed by the authors in their methodological review. The two blocks on top of the cover picture (diagrams from the results section of the article) clearly demonstrate the astonishing accuracy of fi rst principles approaches, i.e., approaches without any experimental input. In fact, they demonstrate even more: The presently only uncontrollable error in such approaches (the exchange correlation error) can be tackled by using available approximations (LDA/GGA) as fi rstprinciples-derived confi dence intervals (also discussed in the article).

  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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Back Cover: Weak ferromagnetism in cobalt oxalate crystals (Phys. Status Solidi B 6/2011)

      E. Romero, M. E. Mendoza and R. Escudero

      Article first published online: 24 MAY 2011 | DOI: 10.1002/pssb.201190018

      Thumbnail image of graphical abstract

      Oxalate dihydrates containing divalent 3d transition elements exhibit quasi-one-dimensional (quasi-1D) magnetic behavior characterized by a dominant magnetic correlation along the oxalate—metal-ion chains. Recently, a weak antiferromagnetic (AF) interaction in these compounds has been reported. However, it was argued that in such systems the intra- and inter-chain magnetic interactions will cant the spins, distorting the antiferromagnetic order and producing also a weak ferromagnetism (WF), presumably more pronounced at low temperatures. Cobalt oxalate dihydrate is a quasi-1D magnetic compound useful for searching for the existence of WF at low temperature. On pp. 1519–1525, E. Romero, M. E. Mendoza and R. Escudero report their results on the synthesis, crystal structure, and magnetic measurement of the orthorhombic β-CoC2O4.2O microcrystals. Their magnetic measurements show the existence of an uncompensated canted antiferromagnetism. Thus the magnetic ordering gives rise to weak ferromagnetism. From M—H measurements at 2–200 K, it was determined that WF ordering is exhibited at T < 7.5 K.

  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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Issue Information

      Article first published online: 24 MAY 2011 | DOI: 10.1002/pssb.201190019

  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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Content (Phys. Status Solidi B 6/2011) (pages 1289–1293)

      Article first published online: 24 MAY 2011 | DOI: 10.1002/pssb.201140821

  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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Recent and forthcoming publications in pss (page 1294)

      Article first published online: 24 MAY 2011 | DOI: 10.1002/pssb.201140822

  6. Feature Articles

    1. Top of page
    2. Cover Picture
    3. Back Cover
    4. Issue Information
    5. Contents
    6. Recent and forthcoming publications in pss
    7. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Formation energies of point defects at finite temperatures (pages 1295–1308)

      B. Grabowski, T. Hickel and J. Neugebauer

      Article first published online: 11 OCT 2010 | DOI: 10.1002/pssb.201046302

  7. 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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Materials preparation, manipulation, and structure

    2. Ni-doped ZnO: Studies on structural and magnetic properties (pages 1352–1359)

      J. Mohapatra, D. K. Mishra, S. K. Kamilla, V. R. R. Medicherla, D. M. Phase, V. Berma and S. K. Singh

      Article first published online: 10 JAN 2011 | DOI: 10.1002/pssb.201046513

    3. Structure and X-ray spectrum of crystalline poly(3-hexylthiophene) from DFT-van der Waals calculations (pages 1360–1368)

      Renato Colle, Giuseppe Grosso, Alberto Ronzani and Claudio M. Zicovich-Wilson

      Article first published online: 20 JAN 2011 | DOI: 10.1002/pssb.201046429

    4. Lattice properties and dynamics, diffusion

    5. Nanostructures, thin films, surfaces and interfaces

      Excitons in a cylindrical GaAs Pöschl–Teller quantum dot (pages 1412–1419)

      M. E. Mora-Ramos, M. G. Barseghyan and C. A. Duque

      Article first published online: 7 DEC 2010 | DOI: 10.1002/pssb.201046428

    6. Variation of hydrogen adsorption with increasing Li doping on carbon nanotubes (pages 1420–1424)

      E. Rangel, J. M. Ramirez-de-Arellano and L. F. Magana

      Article first published online: 7 DEC 2010 | DOI: 10.1002/pssb.201046444

    7. Catalytic oxidation of CO on Ir(100) (pages 1425–1430)

      I. A. Erikat, B. A. Hamad and J. M. Khalifeh

      Article first published online: 15 DEC 2010 | DOI: 10.1002/pssb.201046578

    8. Effect of surface stresses on elastic behavior of a screw dislocation inside the wall of a nanotube (pages 1437–1441)

      Hossein M. Shodja, Mikhail Yu. Gutkin and Seyed S. Moeini-Ardakani

      Article first published online: 17 JAN 2011 | DOI: 10.1002/pssb.201046417

    9. Electronic states

      Ferromagnetic and metallic properties of the semihydrogenated GaN sheet (pages 1442–1445)

      Wen-Zhi Xiao, Ling-Ling Wang, Liang Xu, Qing Wan, An-Lian Pan and Hui-Qiu Deng

      Article first published online: 1 DEC 2010 | DOI: 10.1002/pssb.201046494

    10. The free positron lifetime in amorphous polymers at low temperature (pages 1453–1458)

      N. Laforest, C. Bas, J. De Baerdemaeker, N. Djourelov and C. Dauwe

      Article first published online: 20 JAN 2011 | DOI: 10.1002/pssb.201046599

    11. Extra formation of positronium in amorphous polymers at low temperature (pages 1459–1463)

      N. Laforest, C. Bas, J. De Baerdemaker, N. Djourelov and C. Dauwe

      Article first published online: 10 JAN 2011 | DOI: 10.1002/pssb.201046604

    12. Ab initio investigation of structural and electronic properties of tungsten dioxide (pages 1471–1476)

      V. L. Shaposhnikov, D. B. Migas, V. N. Rodin and V. E. Borisenko

      Article first published online: 17 JAN 2011 | DOI: 10.1002/pssb.201046491

    13. Charge transport phenomena; superconductivity

    14. Optical properties

      Calculations for the linear and nonlinear optical coefficients of ZCTC crystals (pages 1483–1489)

      Chao Feng, Guiwu Lu, Xinqiang Wang, Peng Zhang, Guanggang Zhou, Hongwang Yang and Yuqiu Jiao

      Article first published online: 1 DEC 2010 | DOI: 10.1002/pssb.201046320

    15. Triplet exciton in polymeric electroluminescence (pages 1490–1493)

      Lei Gu, Sheng Li, Thomas F. George and Xin Sun

      Article first published online: 1 DEC 2010 | DOI: 10.1002/pssb.201046340

    16. Time-resolved spectroscopy of exciton-related states in single crystals and single crystalline films of Lu3Al5O12 and Lu3Al5O12:Ce (pages 1505–1512)

      V. Babin, V. Bichevin, V. Gorbenko, M. Kink, A. Makhov, Yu. Maksimov, M. Nikl, G. Stryganyuk, S. Zazubovich and Yu. Zorenko

      Article first published online: 10 JAN 2011 | DOI: 10.1002/pssb.201046486

    17. Ultraviolet luminescence in AlN (pages 1513–1518)

      T. Schulz, M. Albrecht, K. Irmscher, C. Hartmann, J. Wollweber and R. Fornari

      Article first published online: 10 JAN 2011 | DOI: 10.1002/pssb.201046616

    18. Magnetic properties; magnetic resonances

      Weak ferromagnetism in cobalt oxalate crystals (pages 1519–1525)

      E. Romero, M. E. Mendoza and R. Escudero

      Article first published online: 17 JAN 2011 | DOI: 10.1002/pssb.201046402

    19. Identification of shallow Al donors in ZnO (pages 1532–1537)

      F. Herklotz, E. V. Lavrov, J. Weber, G. V. Mamin, Y. S. Kutin, M. A. Volodin and S. B. Orlinskii

      Article first published online: 10 JAN 2011 | DOI: 10.1002/pssb.201046504

  8. 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. Feature Articles
    8. Original Papers
    9. Information for authors
    1. Information for authors (pages 1538–1539)

      Article first published online: 24 MAY 2011 | DOI: 10.1002/pssb.201140823

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