PRELIMINARY PROGRAM

Fifteenth Annual Symposium of the Laboratory for Surface Modification
and
Third Rutgers/Chalmers
Joint Surface and Materials Symposium*
 

 Thursday and Friday, March 8-9, 2001
9:00 a.m.to 5:00 p.m.

a joint meeting between
Rutgers, The State University of New Jersey
and
Chalmers University of Technology,
Gothenburg, Sweden
 

Busch Campus Center (March 8)
Fiber Optics Auditorium (March 9)
Piscataway, New Jersey
 

*Supported in part by STINT, the Swedish Foundation for International Cooperation in Research and Higher Education

Preliminary Program

Thursday, March 8, 2001
Busch Campus Center

 
8:15 Registration; coffee.
8:45 Introductory Remarks: T. E.Madey, Rutgers, and B. I. Lundqvist, Chalmers.
Excitations at Surfaces; Scattering
9:00 Invited- Interaction of Rydberg Atoms with Metal Surfaces: Determination of theIonization Distances, P.Nordlander, Rice University.
9:30 Theoretical Studies of the Rotational Dynamics and Spin-Orbit State Distribution of NO Photodesorbed from Pt(111), 1A.Hellman, and 1 S. Gao,2T.Yamanaka, 2R. A. Pelak and 2W. Ho, 1Dept.of Applied Physics, Chalmers University, 2Dept.of Physics, Cornell University.
9:45 Helium Atom Scattering from Isolated Adsorbates on Cu (001), S. K. Clowes, L.V. Goncharova and B.J. Hinch, Dept. of Chemistry, Rutgers University.
10:00 Theory of Time-Resolved Two-PhotonPhotoemission from a Moving Atom at Surface, Shiwu Gao, Dept. of Applied Physics, Chalmers University.
10:15 Hyperthermal Dissociative Dynamics of Methane and Methyl on Pt(110) 2x1, Nicola Marzari and Roberto Car, Dept. of Chemistry, Princeton University.
10:30 Coffee Break and Poster Session
Ferroelectrics and Other Oxides
11:00 Invited- Theory of Interfaces in Ferroelectric Perovskites, David Vanderbilt, Dept. of Physics & Astronomy, Rutgers University.
11:30 Ab Initio Lattice Dynamics of Pb(ZrxT1-x)O3 (PZT), Claudia Bungaro and Karin M. Rabe, Dept. of Physics & Astronomy, Rutgers University.
11:45 Flexible Ionic-Crystal Surface: k-Al2O3 (001) and (00-1) from First Principles Calculations, Carlo Ruberto, Yashar Yourdshahyan and Bengt I. Lundqvist, Dept. of Applied Physics, Chalmers University.
12:00 MOCVD Growth of MgxZn1-xO on R-sapphire by MOCVD, Jian Zhong, Sriram Muthukumar, Nuri W. Emanetoglu, Yicheng Lu , Dept. of Electrical and Computer Engineering, Rutgers University.

12:15
-1:45
Lunch and Poster Session
POSTER  PAPERS
(Thursday March 8 - Busch Campus Center)
 
1. Electron- and Photon-Stimulated Desorption of Alkali Atoms (Na, K) from Water Ice and Silicon Dioxide Surfaces, B. V. Yakshinskiy and T. E. Madey, Dept. of Physics and Astronomy, Rutgers University.
2. Enhancement of Negative Ion Yield in Electron-Stimulated Desorption of Adsorbed CF2Cl2, S. Solovev, D. Kusmierek and T.E. Madey, Dept. of Physics and Astronomy, Rutgers University.
3. Van der Waals Forces in Density Functional Theory, M. Dion1, D.C. Langreth1, H. Rydberg2 and B.I. Lundqvist 2, 1 Dept. of Physics and Astronomy, Rutgers University, 2Dept. of Applied Physics, Chalmers University.
4. Incorporation of SiO2-P2O 5-ZrO2 Gels in Nafion(TM) Membranes, M. Aparicio1, L. C. Klein1, K. Adjemian 2 and A. Bocarsly2, 1Dept. of Ceramic and Materials Engineering, Rutgers University; 2 Dept. of Chemistry, Princeton University.
5. Thermal Oxidation of Al(110): Growth of the 3D Film, D. Starodub and T. Gustafsson, Dept. of Physics and Astronomy, Rutgers University.
6. Theory of Metastable Alumina: Structure Determination and Surface of k-Al2O3 and Growth of Al2 O3 on TiC,Carlo Ruberto1, Y. Yourdshahyan1, M. Halvarsson2, L. Bengtsson 1, V. Langer3, S. Ruppi4, U. Rolander5 , and B. I. Lundqvist1, 1Dept. of Applied Physics, Chalmers; 2Dept. of Exp. Physics, Chalmers; 3Dept.of Env. Inorg. Chem., Chalmers; 4Seco Tools AB, Fagersta; 5 Sandvik Coromant AB, Stockholm.
7. Ferroelectric and  Piezoelectric Properties in the Presence of Compositionally Broken Inversion Symmetry, Na Sai, B. Meyer, and D. Vanderbilt, Dept. of Physics and Astronomy, Rutgers University.
8. Failure Mechanisms at Glass/Metal Interfaces Under an Electric Field, Manuel Alvarez, and L. C. Klein, Dept. of Ceramics and Materials Engineering, Rutgers University.
9. Temperature Compensated SAW Devices Using MOCVD Grown ZnO Thin Films on SiO2/Si Substrates, Pan Wu, Nuri W. Emanetoglu, Sriram Muthukumar, Yicheng Lu, Dept. Electrical & Computer Engineering, Rutgers University.
10. ZnO Nanoscale Materials: Technology and Applications, Sriram Muthukumar, Nuri W. Emanetoglu, Jian Zhong, S. Feng, Yicheng Lu, Dept. of Electrical & Computer Engineering, Rutgers University.
11. ZnO Schottky-type Metal-Semiconductor-Metal Ultraviolet Photodetectors, Haifeng Sheng, Zhigang Huo, Sriram Muthukumar, Shaohua Liang, Yicheng Lu, Dept. of Chemistry, Rutgers University.
12. Calibration of Optical Second Harmonic Generation Efficiency at the Si(001) Surface vs. Hydrogen Coverage as a Function of Temperature, A. Rajagopal, M. B. Yilmaz, and Frank M. Zimmermann, Dept. of Physics & Astronomy, Rutgers University.
Reactivity, Metals and Interfaces
1:45 Invited - NOx Chemistry on Metals:  Kinetics vs. Thermodynamics, Alexander Bogicevic, and Ken Hass,  Ford Motor Co. Laboratory.
2:15 Tungsten Surfaces and Metal on Tungsten, Elsebeth Schröder, Dept. of Applied Physics, Chalmers University.
2:30 Oxygen Induced Faceting of Ir(210), Ivan Ermanoski, K. Pelhos and T. E. Madey, Dept. of Physics and Astronomy.
2:45 Electronic Structure and Physical Properties of Al-Si Alloys: Theory, Sergey Simak, Dept. of Applied Physics, Chalmers University.
3:00 Photoemission and Inverse Photoemission of Metallic Quantum Well Electronic States in Cu/fccNi/Cu(100),Anthony Danese 1, R. A. Bartynski1, D. Arena2, M. Hochstrasser 2 and J. Tobin2, 1Dept. of Physics and Astronomy, Rutgers University, 2Lawrence Livermore National Lab.
3:15 Coffee Break and Poster Session
 
Thermal and Mechanical Excitations
3:30 Invited - Experimental Observation of Surface Diffusion Induced by Laser Radiation, Ludwig Bartels1, Dietmar Moeller2, Ernst Knoesel2, and Tony Heinz3, 1Dept. of Chemistry, University of California-Riverside, 2Dept. of Physics, Rowan University, Dept. of Physics, 3Columbia University.
4:00 Thermal and Adsorbate Induced Plasmon Energy Shifts in Graphite, Michael Gleeson, Bengt Kasemo and Dinko Chakarov, Dept. of Applied Physics, Chalmers University.
4:15 Viscoelastic Properties of Thin Liquid Crystal Films, I. Zoric, P. Borchard, T. Carlsson* and B. Kasemo , Dept. of Applied Physics and Dept. of Microelectronics*, Chalmers University.
4:30
End of Presentations/Talks


 
 

Friday, March 9, 2001
Fiber Optics Auditorium

 
8:15 Registration; coffee
Metal Surfaces; Adsorption
9:00 Invited- Dynamics of Adsorbed H2, Stig Andersson, Dept. of Applied Physics, Chalmers University.
9:30 Long-ranged Defect-Defect Interactions Mediated by a Surface-State Band, Per Hyldgaard and Mats Persson, Dept. of Applied Physics, Chalmers University.
9:45 Preferential Nucleation of Cu Nanoclusters on S(4x4)/W(111),Qifei Wu, Wenhua Chen and T. E. Madey, Dept. of Physics and Astronomy and Dept. of Chemistry, Rutgers University.
10:00 Quantum Behavior of H on Pt(111), Gustav Kallen, Dept. of Applied Physics, Chalmers University.
10:15 Formation of Chlorosilanes on Si(111) and on Cu2Si Films in UHV, D. V. Potapenko, S. E. Sysoev, A. V. Ermakov and B. J. Hinch, Dept. of Chemistry, Rutgers University
10:30 Coffee Break and Poster Session
Oxides; Gate Dielectrics
11:00 Invited- ALCVD of Ultrathin High-K Metal Oxides on Silicon: the Magic of Surface Chemistry, E.P. Gusev, IBM Thomas J. Watson Research Center.
11:30 Oxygen Transport in ZrO2, Al2O 3 and Zr-Al-O High-K Gate Dielectrics, W.H. Schulte , B.W. Busch, S. Sayan, T. Gustafsson and E. Garfunkel, Depts. of Physics and Astronomy and Chemistry, Rutgers University.
11:45 Soft X-ray Photoemission Studies of the HfO2 /SiO2/Si system,S. Sayan 1, E. Garfunkel1 and S. Suzer2, 1Dept. of Chemistry, Rutgers University, 2Dept. of Chemistry, Bilkent University, Turkey.
12:00 Epitaxy and Interfacial Structure of Au Clusters on TiO2(110),Frederic Cosandey, Dept. of Ceramic and Materials Engineering, Rutgers University.
12:15
-1:45
Lunch and Poster Session
POSTER  PAPERS 
(Friday March 9 - Fiber Optics Building)
 
1. Studies of PX3 Interaction with Cu(001) using High-Resolution Helium Atom Scattering, L.V. Goncharova , S. K. Clowes, A.V. Ermakov and B.J. Hinch, Dept. of Chemistry, Rutgers University.
2. Adsorption and Decomposition of Acetylene on Ir(210), Wenhua Chen, Ivan Ermanoski, Qifei Wu and T. E. Madey, Dept. of Physics and Astronomy, Rutgers University.
3. High resolution Photoemission Study of Core-Level Shifts in Clean and Oxygen Covered Ir(210), M. Gladys 1, I. Ermanoski1, G. Jackson1, J. E. Rowe 2 and T. E. Madey1, 1Dept. of Physics and Astronomy, Rutgers University, 2Army Research Office.
4. First-Principles Phonon Dispersion and Structural Energetics of NiTi, Xiangyang Huang and Karin Rabe, Dept. of Physics and Astronomy, Rutgers University.
5. Intrinsic Line Shape of the Pd M45VV Auger Spectrum and Secondary Electron Production Probed by Auger-Photoelectron Coincidence Spectroscopy (APECS),M. T. Butterfield 1, R. A. Bartynski1 and S. L. Hulbert2, 1Dept. of Physics & Astronomy, Rutgers University, 2 NSLS, Brookhaven National Laboratory.
6. XPS Studies on the Interfaces of Au/CuPc vs. Au/FCuPc, Xinyun Yu1, Zhenan Bao2, and Theodore E. Madey3, 1Dept. of Chemistry, Rutgers University, 2Lucent Technologies, 3Dept. of Physics and Astronomy, Rutgers University.
7. Simulation, Fabrication, and Characterization of Three-Dimensional Photonic Bandgap Structures,Y. Chen 1, D. Bartzos1, Y. Lu1, E. Niver2, M. E. Pilleux3, 4, M. Allahverdi3 and A. Safari 3, 1Dept. of Electrical & Computer Engineering, Rutgers University, 2Dept. of Electrical & Computer Engineering, Rutgers University and NJIT, 3Dept. of Ceramic & Materials Engineering, Rutgers University, 4Universidad de Chile.
8. Exact Time-dependent Kohn-Sham Calculations,  Jan Werschnik, Paul Hessler, Neepa T. Maitra and Kieron Burke, Dept. of Chemistry, Rutgers University.
9. Performance of Density Functionals on Scaling Spin Densities,Takeyce Whittingham, Rudolph Magyar and Kieron Burke, Dept. of Chemistry, Rutgers University.
10. Towards a Density-functional Theory of Scattering, Adam Wasserman, Neepa Maitra and Kieron Burke, Dept. of Chemistry, Rutgers University.
11. Synthesis and Characterization of Hydroxyapatite Particulates, Chun-Wei Chen1, Kullaiah Byrappa 1, Charles Oakes1, Yunda Liu1, Richard E. Riman 1, Mamoru Senna2, Kelly Brown3, Kevor S. TenHuisen 3 and Victor F. Janas3, 1Department of Ceramic and Materials Engineering, Rutgers University, 2Faculty of Science and Technology, Keio University, 3Johnson & Johnson Corporation Biomaterials Center, Somerville, NJ.
Applications of Density Functional Theory
1:45 The Binding of Graphite: is LDA really better than GGA?, H.Rydberg1, P. Hyldgaard1, N. Jacobson1, B.I Lundqvist1, M. Dion2 and D.C. Langreth2, 1Dept. of Applied Physics, Chalmers University, 2Dept. of Physics and Astronomy, Rutgers University. 
2:00 Quantum Origin of the Ceria Oxygen Storage Phenomenon, N. V. Skorodumova, Dept. of Applied Physics, Chalmers University.
2:15 Can UDFT Describe Singlet Biradicals?, Juergen Graefenstein, Dieter Cremer, Michael Filatov, and Elfi Kraka, Dept. of Chemistry, Gothenburg University.
2:30 Difficulties in Constructing Excited-State Density Functional Theory, Federico Zahariev1,  Kieron Burke1, and Mel Levy2, 1Dept. of Chemistry, Rutgers University, 2Dept. of Chemistry & Quantum Theory Group, Tulane University.
2:45 A la recherche du temps perdu: Memory in Time-Dependent Density-Functional Theory,Neepa Maitra, Chris Woodward and Kieron Burke, Dept. of Chemistry, Rutgers University.
3:00 Coffee Break and Poster Session; End of Conference.