PERIODICALS PHYSICAL REVIEW B Postmaster send address changes to: For editorial and subscription correspondence, American Institute of Physics please see inside front cover Suite 1NO1 „ISSN: 1098-0121… 2 Huntington Quadrangle Melville, NY 11747-4502 THIRD SERIES, VOLUME 71, NUMBER 21 CONTENTS JUNE 2005-1(I) BRIEF REPORTS Structure, structural phase transitions, mechanical properties, defects Crystal structure and electric field gradients of PbZrO3 from density functional calculations (4 pages) ....... 212101 M. D. Johannes and D. J. Singh Electronic properties of structural twin and antiphase boundaries in materials with strong electron-lattice couplings (4 pages) .......................................................................... 212102 K. H. Ahn, T. Lookman, A. Saxena, and A. R. Bishop Rietveld refinement study of the pressure dependence of the internal structural parameter u in the wurtzite phase of ZnO (4 pages) ....................................................................... 212103 Haozhe Liu, Yang Ding, Maddury Somayazulu, Jiang Qian, Jinfu Shu, Daniel Häusermann, and Ho-kwang Mao Inhomogeneous, disordered, and partially ordered systems Invariance of truncated cluster expansions for first-principles alloy thermodynamics (2 pages) ............. 212201 Marcel H. F. Sluiter and Y. Kawazoe Magnetism Contractor renormalization group theory of SU͑N͒ chains and ladders (4 pages) ......................... 212401 Peng Li and Shun-Qing Shen Experimental evidence of a cluster-glass transition on the colossal magnetoresistance manganite ͑ ͒ La0.7Pb0.3 Mn0.9Fe0.1 O3 (4 pages) .............................................................. 212402 N. Veglio, F. J. Bermejo, J. Gutierrez, J. M. Barandiarán, A. Peña, M. A. González, P. P. Romano, and C. Mondelli Critical properties of doped coupled spin-Peierls chains (4 pages) .................................... 212403 Nicolas Laflorencie, Didier Poilblanc, and Manfred Sigrist ͑ ͒ Low-temperature transport anomaly in the magnetoresistive compound La0.5Pr0.2 Ba0.3MnO3 (4 pages) ...... 212404 D. S. Rana, J. H. Markna, R. N. Parmar, D. G. Kuberkar, P. Raychaudhuri, J. John, and S. K. Malik ͑ ͒ High-field behavior of the spin gap compound Sr2Cu BO3 2 (4 pages) ................................. 212405 Suchitra E. Sebastian, D. Yin, P. Tanedo, G. A. Jorge, N. Harrison, M. Jaime, Y. Mozharivskyj, G. Miller, J. Krzystek, S. A. Zvyagin, and I. R. Fisher Lattice-coupled antiferromagnet on frustrated lattices (4 pages) ....................................... 212406 Chenglong Jia, Jung Ho Nam, June Seo Kim, and Jung Hoon Han Copyright 2005 by The American Physical Society (Continued) CONTENTS - Continued PHYSICAL REVIEW B THIRD SERIES, VOLUME 71, NUMBER 21 JUNE 2005-1(I) Interlayer exchange coupling in perovskite-type magnetic trilayers (4 pages) ............................ 212407 T. Ohsawa, S. Kubota, H. Itoh, and J. Inoue Mechanism of magnetic recovery in the disorder-order transformation of Fe70Al30 mechanically deformed alloys (4 pages) ............................................................................. 212408 D. Martín Rodríguez, E. Apiñaniz, F. Plazaola, J. S. Garitaonandia, J. A. Jiménez, D. S. Schmool, and G. J. Cuello Superfluidity and superconductivity ⌬ Anomaly at k in the angle-resolved photoemission spectrum of dirty superconductors (4 pages) ........... 212501 T. Dahm, P. J. Hirschfeld, L. Zhu, and D. J. Scalapino Rotation-induced three-dimensional vorticity in 4He superfluid films adsorbed on a porous glass (4 pages) . 212502 M. Fukuda, M. K. Zalalutdinov, V. Kovacik, T. Minoguchi, T. Obata, M. Kubota, and E. B. Sonin ͑ ͒ Quasi-one-dimensional electronic structure of DMET 2CuCl2 (4 pages) ............................... 212503 H. Ito, D. Suzuki, Y. Yokochi, S. Kuroda, M. Umemiya, H. Miyasaka, K-I. Sugiura, M. Yamashita, and H. Tajima Origin of modulated structures in YBa2Cu3O6.63:Afirst-principles approach (4 pages) .................... 212504 D. de Fontaine, V. Ozolins, Z. Islam, and S. C. Moss Spurious second transition in the heavy-fermion superconductor CePt3Si (3 pages) ....................... 212505 J. S. Kim, D. J. Mixson, D. J. Burnette, T. Jones, P. Kumar, B. Andraka, G. R. Stewart, V. Craciun, W. Acree, H. Q. Yuan, D. Vandervelde, and M. B. Salamon High-resolution polarization analysis study of long-range magnetic order in cuprates (4 pages) ............. 212506 Zahirul Islam, D. Haskel, J. C. Lang, G. Srajer, X. Liu, S. K. Sinha, and B. W. Veal Enhanced flux pinning in neutron irradiated MgB2 (4 pages) ......................................... 212507 I. Pallecchi, C. Tarantini, H. U. Aebersold, V. Braccini, C. Fanciulli, C. Ferdeghini, F. Gatti, E. Lehmann, P. Manfrinetti, D. Marré, A. Palenzona, A. S. Siri, M. Vignolo, and M. Putti ARTICLES Structure, structural phase transitions, mechanical properties, defects Computational study of stacking faults in sapphire using total energy methods (5 pages) .................. 214101 M. H. Jhon, A. M. Glaeser, and D. C. Chrzan Construction of n-body potentials for hcp-bcc metal systems within the framework of embedded atom method (8 pages) ................................................................................... 214102 R. F. Zhang, Y. Kong, and B. X. Liu Trends in elasticity and electronic structure of transition-metal nitrides and carbides from first principles (5 pages) ................................................................................... 214103 Zhigang Wu, Xiao-Jia Chen, Viktor V. Struzhkin, and Ronald E. Cohen Crystal structure of the superconducting phases of S and Se (6 pages) ................................. 214104 Olga Degtyareva, Eugene Gregoryanz, Maddury Somayazulu, Ho-kwang Mao, and Russell J. Hemley Model interaction potentials for selenium from ab initio molecular simulations (5 pages) ................. 214105 John C. Mauro and Arun K. Varshneya In situ high-pressure synchrotron x-ray diffraction study of Sc2W3O12 at up to 10 GPa (8 pages) ........... 214106 Tamas Varga, Angus P. Wilkinson, Cora Lind, William A. Bassett, and Chang-Sheng Zha (Continued) CONTENTS - Continued PHYSICAL REVIEW B THIRD SERIES, VOLUME 71, NUMBER 21 JUNE 2005-1(I) Investigation of the intermediate- and high-density forms of amorphous ice by molecular dynamics calculations and diffraction experiments (7 pages) ................................................. 214107 John S. Tse, Dennis D. Klug, Malcolm Guthrie, Chris A. Tulk, Chris J. Benmore, and Jacob Urquidi Relative stability and elastic properties of hcp, bcc, and fcc beryllium under pressure (7 pages) ............ 214108 G. V. Sin’ko and N. A. Smirnov Diffusion of phosphorus in ␣-Fe: An ab initio study (13 pages) ...................................... 214109 C. Domain and C. S. Becquart Inhomogeneous, disordered, and partially ordered systems Johari-Goldstein secondary relaxation in methylated alkanes (9 pages) ................................. 214201 K. L. Ngai Time-resolved thermal lens measurements of the thermo-optical properties of glasses at low temperature down to 20 K (6 pages) ............................................................................ 214202 N. G. C. Astrath, J. H. Rohling, A. N. Medina, A. C. Bento, M. L. Baesso, C. Jacinto, T. Catunda, S. M. Lima, F. G. Gandra, M. J. V. Bell, and V. Anjos Dynamics, dynamical systems, lattice effects, quantum solids Variational path-integral treatment of a translation invariant many-polaron system (13 pages) .............. 214301 F. Brosens, S. N. Klimin, and J. T. Devreese Emergence of diffusion in finite quantum systems (12 pages) ........................................ 214302 M. Esposito and P. Gaspard Separating particles according to their physical properties: Transverse drift of underdamped and overdamped interacting particles diffusing through two-dimensional ratchets (11 pages) ............................. 214303 Sergey Savel’ev, Vyacheslav Misko, Fabio Marchesoni, and Franco Nori Path-integral Monte Carlo study of phonons in the bcc phase of 4He (7 pages) .......................... 214304 V. Sorkin, E. Polturak, and Joan Adler Raman spectroscopy of Ca3Ru2O7: Phonon line assignment and electron scattering (6 pages) .............. 214305 M. N. Iliev, S. Jandl, V. N. Popov, A. P. Litvinchuk, J. Cmaidalka, R. L. Meng, and J. Meen Counting discrete emission steps from intrinsic localized modes in a quasi-one-dimensional antiferromagnetic lattice (14 pages) ............................................................................ 214306 M. Sato and A. J. Sievers Ј Љ First-order Raman spectra of AB1/2B1/2O3 double perovskites (9 pages) ................................ 214307 S. A. Prosandeev, U. Waghmare, I. Levin, and J. Maslar Magnetism 51 V NMR study of the quasi-one-dimensional alternating chain compound BaCu2V2O8 (7 pages) ........... 214401 K. Ghoshray, B. Pahari, B. Bandyopadhyay, R. Sarkar, and A. Ghoshray ͑ ͒ Spin structure and magnetic frustration in multiferroic RMn2O5 R=Tb,Ho,Dy (9 pages) ................ 214402 G. R. Blake, L. C. Chapon, P. G. Radaelli, S. Park, N. Hur, S-W. Cheong, and J. Rodríguez-Carvajal Stability of solutions of the Sherrington-Kirkpatrick model with respect to replications of the phase space (9 pages) ................................................................................... 214403 V. Janiš (Continued) CONTENTS - Continued PHYSICAL REVIEW B THIRD SERIES, VOLUME 71, NUMBER 21 JUNE 2005-1(I) ͑ ͒ Pressure-tuned spin state and ferromagnetism in La1−xMxCoO3 M =Ca,Sr (8 pages) .................... 214404 I. Fita, R. Szymczak, R. Puzniak,