Proceedings of the 34th Annual Condensed Matter and Materials Meeting Waiheke Island Resort, Waiheke, Auckland, New Zealand 2 - 5 February 2010 ISBN: 978-0-646-53897-6 Editorial Note – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 'Proceedings of Wagga 2010' The 34th Annual Condensed Matter and Materials Meeting ISBN: 978-0-646-53897-6 Editor: Tilo Söhnel The 34th Annual Condensed Matter and Materials Meeting was held at Waiheke Island, Auckland, New Zealand, from 2-5 February, 2010. There were 87 attendees, including international visitors [USA, UK, Israel, Spain, Germany, Japan]. A total of 11 invited and 28 contributed oral papers were presented during the two and one half days of scientific sessions. There were also two sessions with a total of 50 poster presentations. All presenters were invited to submit a manuscript (six pages for invited papers and four for contributed papers) for publication in the conference proceedings. Each manuscript was refereed by at least two anonymous reviewers who worked to a set of guidelines made available by the editor. Each accepted publication therefore satisfies the requirements for classification as a refereed conference publication (E1). The organizers would like to thank the 28 reviewers for their time and effort in reviewing manuscripts, which resulted in 22 papers being accepted for publication. The accepted manuscripts are available at the on-line publication section of the Australian Institute of Physics national web site (http://www.aip.org.au/). Manuscript-review team: M. Alario-Franco, D. Andrae, T. J. Bastow, D. Bennett, G. A. Bowmaker, S. J. Campbell, J. S. Collington, M. Das, T. R. Finlayson, N. Gaston, C. J. Hamer, A. Hill, J. Hodgkiss, W. D. Hutchison, H. Idriss, A. Kaiser, C. D. Ling, K.-D. Liss, A. Nelson, E. Pahl, M. N. Read, B. J. Ruck, S. A. Schmid, P. A. Schwerdtfeger, K. Sears, G. A. Stewart, R. D. Tilley, H. Timmers. Organising committee: Tilo Söhnel (chair), Graham Bowmaker, Jadranka Travas-Sejdic, Kathrin Wichmann (all The University of Auckland) Correspondence: t.soehnel@auckland.ac.nz Date: 14/July/2010 CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 Conference Program Wednesday, 3 February 2010 1 High Pressure Simulations – Squeezing the Hell out of Atoms, Peter Schwerdtfeger, Massey University, NZ INVITED 2 Specific heat of a Ferroelectric PZT Ceramic at the Morphotropic Phase Boundary, Sidney Lang, Ben-Gurion University, Israel 3 Electronic structure and magnetism in rare-earth nitrides, Ben Ruck, MacDiarmid Insti- tute for Advanced Materials and Nanotechnology and Victoria University of Welling - ton, New Zealand 4 Thermodynamics and the prospects for room-temperature superconductivity, Jeff Tallon, IRL and MacDiarmid Institute for Advanced Materials and Nanotechno logy, Wellington, New Zealand 5 Surface treatment: new methods, new applications, John S. Colligon, Manchester Met ropolitan University, UK INVITED 6 NMR detection of dilute defect phases in solids, Tim J. Bastow, CSIRO, South Clayton, Australia 7 Wavefunction-based correlation calculations for the potential energy surface of zinc and cadmium: understanding the hcp anisotropy, Nicola Gaston, IRL and MacDiarmid Institute for Advanced Materials and Nanotechnology, Wellington, New Zealand 8 Solid state calculations of ice from an incremental coupled cluster approach, Andreas Hermann, Massey University Auckland, New Zealand 9 The World of Wombat: a review of high speed neutron diffraction at the OPAL re - search reactor, Andrew J. Studer, The Bragg Institute, ANSTO, Sydney, Australia INVITED 10 Kohn Anomaly in Conventional Superconductors: A Surprise, Mukunda P. Das, The Australian National University, Australia INVITED 11 Spin-mediated strong coupling superconductivity in lightly doped cuprates , Wei Chen, University of New South Wales, Sydney, Australia 12 Copper Selenide: Soft Photon Modes and Superionic Phase Transition, Sergey Danilkin, Bragg Institute, ANSTO, Sydney, Australia 13 ZnO solid state dye sensitized solar cells, Natalie O. V. Plank, Victoria University of Wellington, New Zealand 14 The Crystal Structure of the Close-Packed Polymorphs of Ytterbium: A Quantum Chemical Study, Dirk Andrae, Freie Universität Berlin, Germany 15 Approaching metallic hydrogen through chemical stealth; the high hydrides, Neil Ashcroft, Cornell University, Ithaca, NY, USA INVITED CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 Thursday, 3 February 2010 16 X-ray Photon Correlation Spectroscopy Applied to the Study of a Martensitic Trans formation, Trevor R. Finlayson, University of Melbourne, Australia INVITED 17 Systematic trends in the structural phase transitions of the 4 d transition-metal oxides SrMO3 (M = Zr, Nb, Mo, Tc, Ru and Rh), Brendan Kennedy, The University of Sydney, Sydney, Australia 18 Anomalous Spin Dynamics and Orbital Excitations in Mott-Insulating Titanates, Clemens Ulrich, University of New South Wales, Sydney, Australia 19 Single Polymer Golbules of Multiblock Copolymers: How to make a very Complicated Tennis Ball, David R. M. Williams, Australian National University, Canberra, Aus - tralia 20 Models and simulations of the growth of carbon nanotubes, Shaun C. Hendy, MacDi- armid Institute for Advanced Materials and Nanotechnology, Victoria University of Wellington, New Zealand INVITED 21 The coalescence of gold nanoparticles: an in situ synchrotron study, Bridget Ingham, Industrial Research Limited, Wellington, New Zealand 22 Zero field NMR and NQR measurements of natural copper minerals, Daniel Bennett, CSIRO, Lucas Heights, Australia 23 Junction effects and optical properties of RhPd/CeO 2, Morgan Scott, University of Auckland, New Zealand 24 Cluster-based Electronic Devices, Simon Brown, University of Canterbury, New Zea- land INVITED 25 Electrons in Carbon Flatland: Understanding Conduction in Graphene, Alan B. Kaiser, MacDiarmid Institute for Advanced Materials and Nanotechnology, Victoria Uni - versity of Wellington, New Zealand INVITED 26 Time Reversal of a Pseudospin: General Properties and Applications to Graphene, Ulrich Zülicke, Massey University, Palmerston North, New Zealand 27 Water and Ion Transport in a Novel Sulfonated Pentablock Copolymer, Geoffrey Geise, University of Texas, USA 28 Characterisation and tracing of prosthesis debris – Can pathways of polymer particles be suppressed? Heiko Timmers, University of New South Wales at ADFC, Canberra, Australia 29 Synthesis at High Pressure and High Temperature of M-1212 metalo-cuprates, Miguel Alario-Franco, Universidad Complutense, Spain 30 The structures, phase transition and dynamics behind mixed ionic and electronic con - duction in hydrated Ba4Nb2O9, Chris D. Ling, The University of Sydney, Sydney, Aus- tralia 31 Modern Diffraction Methods for the Investigation of Thermo Mechanical Processes in Materials Physics, Klaus-Dieter Liss, ANSTO, Sydney, Australia CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 Friday, 5 February 2010 32 Quantum Phase Transitions in Coupled Quantum Optical Cavities, Andrew D. Green- tree, University of Melbourne, Australia INVITED 33 A new approach to the Creation of Magnetically Modulated Structures, Thomas Saer- beck, ANSTO/University of Western Australia,Sydney/Perth, Australia 34 Modulated Structures in the Fresnoite Family, Siegbert Schmid, The University of Sydney, Sydney, Australia 35 Organic Solar Cells with Carbon Nanotube Sheet Electrodes, Kallista Sears, CSIRO, Clayton, Australia 36 Studying Electrical Double Layers in Ionic Liquids using Neutron and X-ray Reflecto - metry, Andrew Nelson, The Bragg Institute, ANSTO, Sydney, Australia INVITED 37 Hydrodynamic mobility of an optical trapped colloidal particle near fluid-fluid inter - faces, Genmiao Wang, Australian National University, Canberra, Australia 38 Pulsed ESR Measurement of Coherence Times in Si:P at Very Low Temperature, Wayne Hutchinson, The University of New South Wales, Sydney, Australia 39 Synthesis and Applications of Nanoparticles, Richard D. Tilley, MacDiarmid Institute for Advanced Materials and Nanotechnology and Victoria University of Wellington, New Zealand CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 Poster Presentations Poster # Authors Title 40 B. Assadollahzadeh and From Clusters to the Solid State: A P. Schwerdtfeger Systematic Search for Global Minimum Structures for Cs, Sn and Au Clusters 41 D. Bennett, D. Miljak, B. Schwitter and Zero field NMR and NQR J. Khachan measurements of natural copper minerals 42 V.K. Bhatia, C.S. Kealley, G.J. Thoro- AuCuAl Shape Memory Alloys for Use good, A. Dowd and M.B. Cortie in Nano-Actuators 43 S. Biering and P. Schwerdtfeger The influence of relativistic effects on the structure of the group 12 chalcogenides: A density functional study 44 R. Clements, B. Kennedy, C. Ling, A Neutron and Synchrotron Investigation A.P.J. Stampfl of The Electronic Structure of Lanthanide Zirconates 45 Y.X. Gao, G.M. Wang and Under what experimental conditions are E.M. Sevick Fluctuation Theorems necessary? 46 M.B. Gray, W. Giardini, P. Manson, The Avogadro Project and it’s role in R.B. Warrington and M. Wouters the redefinition of the kilogram 47 C. Hamer, O. Rojas and J. Oitmaa Spin-wave Approach to the Spin-1 Heisenberg Anitiferromagnet with Uniaxial Anisotropy in a Field 48 P. Falcaro, C. Doherty, K. Nairn, A. Adaptive materials Thornton, S. Pas, C. Elvin and A. Hill 49 J.M. Hodgkiss, G. Tu, S. Albert- Coupling ionic and electronic charge Seifried, W.T.S. Huck and R.H. Friend transport in organic semiconductors: A new paradigm for enhanced functionality in molecular electronics 50 M. Holt, D. Stanek, O.P. Sushkov and Pnictides as frustrated three dimensional G.S. Uhrig quantum antiferromagnets close to a quantum phase transition 51 W.D. Hutchison, P.G. Spizzirri and M.S. Electrically Detected Magnetic Brandt Resonance Applied to the Study of Near Surface Electron Donors in Silicon 52 A.R. Hyndman, G.V.M. Williams and J. Magnetization and Magnetotransport Stephen Study of SrFeOx 53 S. Janssens, D. Clarke, Spectroscopic properties of sensitized G.V.M. Williams and A. Edgar LaF3:Eu3+ nanoparticles 54 J. Leveneur, S. Kupke, J. Kennedy, Fabrication of Fe nanoclusters using ion G.V.M. Williams, A. Markwitz and J. implantation and electron beam annealin Metson CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 55 A.E. Malik, K. Belay, D. Llewellyn, Ferromagnetic Nanoparticles Formed in W.D. Hutchison, K. Nishmura and R.G. Silica by Ion Implantation Elliman 56 A. Markwitz, F. Fang and P.B. Johnson Electron beam annealing of (100) Si following dual ion implantation of Pb/N 57 D.J. Miller Advantages of measuring average spin using condensed matter methods 58 S.W. Morgan, G.V.M. Williams, A.R. Temperature Resolved Hyndman and J. Stephen Cathodoluminescence Spectroscopy and Magnetic Properties of Cobalt Doped Titanium Dioxide Thin Films 59 E. Pahl, F. Calvo and P. Schwerdtfeger Towards accurate melting temperatures from ab initio Monte Carlo simulations: from nano clusters to the bulk 60 N.O.V. Plank, F. Natali, B.M. Ludbrook, Epitaxial growth and electrical properties J. Richter, B.J. Ruck, of thick SmSi2 layers on (001) silicon. H.J. Trodahl and J.V. Kennedy 61 R.M. Puscasu, B.D. Todd, P.J. Daivis Nanoscale Modeling of Polymer Glasses and J.S. Hansen – Dynamics of Viscous Kernel 62 S.G. Raymond, G.V.M. Williams, C. New Materials for Optically stimulated Varoy, C. Dotzler and D. Clarke Luminescence Dosimetry 63 M.N. Read Momentum-dependent inelastic mean- free-path and high-energy electronic structure of Aluminium 64 J.H. Richter, B.J. Ruck, B.M. Ludbrook, Properties of EuN thin films I.L. Farrel, F. Natali, N.O.V. Plank and H.J. Trodahl 65 U. Rohrmann, S. Schäfer and Magnetic Response of Molecular Cage R. Schäfer Clusters: Mn@Sn12 and Mn@Sn13 66 S. Saengkae, M. Binder, B.F. Usher and Efficient Surface Stress Cancelling Al- J. Petrolito gorithms 67 T. Saerbeck, N. Loh, M. Ali, Temperature Dependent Biquadratic Ex- B.J. Hickey, D. Lott, B.P. Toperverg, A. change Coupling in Mulders, A.P. J. Stampfl, F. Klose and Co/Cu(0.94)Mn(0.06) Multilayers R.L. Stamps 68 H.A. Salama, G.A. Stewart, K. Hysteresis effects in o-YbMnO 3? Nishimura, W.D. Hutchison, D. Scott, H.O’Neill, C.J. Voyer and D.H. Ryan 69 W. R. Brant and S. Schmid Defect Perovskites in the Sr1-xM1-2xNb2xO3 (M = Ti, Zr) Family 70 X.-F. Song and L. Yin Surface Fracture in Diamond Adjusting of a Leucite-Reinforced Glass Ceramic Us- ing a Clinical Dental Handpiece CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 71 T. Schnyder, G. Williams and J. Tallon Evidence of Ionic Effect ("Chemical Pressure") in Bi2Sr1.6Ln0.4CuO6+! (Ln = Ba, La, Eu, Gd, Y) studied by Susceptibility and Raman Measurements 72 E.M. Sevick and D.R.M. Williams A piston-rotaxane as a molecular shock absorber 73 T. Söhnel, W. Reichelt and K.Teske Solid State Coulometric Investigations in the System Ir/Sn/O - Determination of the thermodynamical data of Ir10Sn45O44, IrSn4O4-x, Ir3Sn8O4, Ir5Sn7 and IrSn2 74 S. Spoljaric, T. Köpplmayr, Nano-composites with physical crosslinks A. Genovese, T.K. Goh, introduced by core crosslinked A. Blencowe, G.G. Qiao and star polymers into a like-polymer R.A. Shanks 75 S. Spoljaric, A. Genovese, Long term structural integrity of high T. Köpplmayr and R.A. Shanks density polyethylene blends investigated by static force thermomechanometry 76 J. Stephen, G.V.M. Williams and B. Magnetic and electronic study of the co- Ruck lossal magnetoresistance compound, Sr2FeMoO6 77 K.J. Stevens, B. Ingham, M. Ryan, J.A. Carbide Composition and Stress Meas- Kimpton, K.S. Wallwork, urement in Ethylene Pyrolysis Tubes V. Luzin and K. Cheong. 78 B. Saensunon, G. Stewart, The Crystal Field Schemes for Er3+ in Er- P.C.M. Gubbens, M. Russina and Cr2Si2 and ErMn2Si2 E. Kemner 79 M.J. Styles, D.P. Riley and I.C. Madsen Parametric Rietveld refinement applied to in-situ diffraction studies 80 E.F. Talantsev, N.M. Strickland, In-field performance and microstructure J.A. Xia, N.J. Long, M.W. Rupich, of metal-organic deposited YBCO films X. Li and S. Sathyamurthy doped with BaZrO3 81 P. Kessler, Th. Geruschke, H. Timmers, 100Pd/Rh gamma-ray perturbed angular A.P. Byrne and R. Vianden correlations in GaN and ZnO – Are these semiconductors suitable for spintronics? 82 Y. Liu, L.G. Gladkis and H. Timmers Micro-scratching of UHMW polyethylene surfaces 83 R. Tonner, V.A. Soloshonok and P. Optical purification via sublimation – Schwerdtfeger DFT results on lactic acid derivatives 84 C. Roux, D. Williamsa and J. Travas- Comb-like coploymers based on Sejdic polythiophene 85 A. Edgar, J. Zimmermann, X-ray phosphor properties of Eu2+ - doped H. von Seggern and C.R. Varoy lanthanum-stabilised cubic barium chloride CONTRIBUTIONS – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 86 J.L. Wang, S.J. Campbell, Magnetic Phase Transitions in Layered J.M. Cadogan, A.J. Studer, R. Zeng and NdMn2Ge2-xSix S.X. Dou 87 M. Watanabe The Angled Crack Problems in Compres- sion and Tension 88 M. Went, J. Roberts, R. Weed, A Variable Energy Positron Beamline for S. Buckman and J. Sullivan PALS experiments 89 N.M. Winch and A. Edgar CsBr:Eu2+ X-Ray Storage Phosphor Ima- ging Plates 90 J.A. Xia, N.M. Strickland, Investigation of columnar defects in E.F. Talantsev, N.J. Long, MOD YBCO films by TEM M.W. Rupich, S. Sathyamurthy, X. Li and J. Kennedy CONTENT – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 Proceedings Content 1 The Crystal Structure of the Close-Packed Polymorphs of Ytterbium: A Quantum Chemical Study D. Andrae and B.Paulus 2 Zero Field NMR and NQR measurements of natural copper minerals D. Bennett, D. Miljak, B. Schwitter and J. Khachan 3 Surface Treatment: New Methods, New Applications J.S. Colligon 4 Kohn Anomaly in Conventional Superconductors: A Surprise M.P. Das and R. Chaudhury 5 X-ray Photon Correlation Spectroscopy Applied to the Study of a Martensitic Transformation L. Müller, M. Waldorf, C. Gutt, A. Madsen, G. Grübel, T.R. Finlayson and U. Klemradt 6 Spin-wave Analysis of the Spin-1 Heisenberg Antiferromagnet with Uniaxial Anisotropy in a Field C.J. Hamer, O. Rojas and J. Oitmaa 7 Magnetic Nanoparticles Synthesised by Ion-Implantation A.E. Malik, K. Belay, D. Llewellyn, W.D. Hutchison, K. Nishmura and R. Elliman 8 Electrically Detected Magnetic Resonance Applied to the Study of Near Surface Electron Donors in Silicon W.D. Hutchison, P.G. Spizzirri, F. Hoehne and M.S. Brandt 9 Pulsed ESR Measurement of Coherence Times in Si:P at Very Low Temperatures W.D. Hutchison, L.K. Alexander, N. Suwuntanasarn and G.N. Milford 10 Unbound Surface and Bulk Electron Energy Bands for Al(111) Surface M.N. Read 11 Defect Perovskites in the Sr1-xM1-2xNb2xO3 (M = Ti, Zr) Family W.R. Brant and S. Schmid 12 Modulated Structures in the Fresnoite Family P.K. Allen and S. Schmid 13 Activation of Rh,Pd/CeO2 nano-catalyst M. Scott, G. Waterhouse, T. Söhnel CONTENT – 34TH ANNUAL CONDENSED MATTER AND MATERIALS MEETING – WAIHEKE ISLAND, AUCKLAND, NZ, 2010 14 Nanocomposites with physical crosslinks introduced by core cross-linked star polymers into a like-polymer S. Spoljaric, T. Köpplmayr, A. Genovese, T.K. Goh, A. Blencowe, G.G. Qiao and R.A. Shanks 15 Long term structural integrity of high density polyethylene blends investigated by measurement of creep S. Spoljaric, A. Genovese, T. Köpplmayr and R.A. Shanks 16 Carbide Composition and Stress Measurement in Ethylene Pyrolysis Tubes K.J. Stevens, B. Ingham, M. Ryan, V. Luzin and K. Cheong 17 The Crystal Field Schemes for Er3+ in ErCr2Si2 and ErMn2Si2 B. Saensunon, G.A. Stewart, P.C.M. Gubbens, M. Russina and E. Kemner 18 Parametric Rietveld Refinement Applied to In Situ Diffraction Studies M.J. Styles, D.P. Riley, I.C. Madsen and E.H. Kisi 19 Investigation of columnar defects in MOD YBCO films by TEM J.A. Xia, N.M. Strickland, E.F. Talantsev, N.J. Long and J. Kennedy 20 Critical Temperature, In-Field Performance and Microstructure of Metal-Organic Deposited YBa2Cu3O7-! Films Doped with BaZrO3 E.F. Talantsev, N.M. Strickland, J.A. Xia, N.J. Long, M.W. Rupich, X. Li and S. Sathyamurthy 21 Characterisation and Tracing of Prosthesis Debris: Towards Suppressing the Pathways of Ultra-high Molecular Weight Polyethylene Wear Particles H. Timmers, L.G. Gladkis, J. A. Warner 22 Micro-Scratching of UHMW Polyethylene Surfaces with 90° Cube Corner Silicon Tips Y. Liu, L.G. Gladkis and H. Timmers