1 / 32

Århus

psi-k f-electron. Rutgers. Uppsala. Århus. Daresbury. Nijmegen. Le Mans. Dresden. Paris. psi-k f-electron. Ab-initio computation of electronic properties of f-electron materials. ψ k. f-electrons are difficult vitamins of real materials.

benedict-cooke
Download Presentation

Århus

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. psi-k f-electron Rutgers Uppsala Århus Daresbury Nijmegen Le Mans Dresden Paris

  2. psi-k f-electron Ab-initio computation of electronic properties of f-electron materials ψk • f-electrons are difficult • vitamins of real materials a) Application of existing methodology to scientific problems of high priority • Development of new methodology for improved description • of f-electron materials

  3. Psi-k Network (ESF) Electronic structure theory RTN: Psi-k f-electron RTN: Magnetoelectronics RTN: Exciting Newsletter Workshops Psik2005 Conference

  4. Science Review

  5. Work Plan • Methodological developments • Actinides (Z ≥ 90) • Rare earth systems (Z=58,..,70) • Surface magnetism • Workshops • Newsletter and homepage

  6. Work Plan • Methodological developments • Dynamical Mean Field Theory • Local Self-Interaction Correction • Relativistic Full Potential Local Orbital • LDA+U, non-collinear magnetism • Actinides • Rare earth systems • Surface magnetism

  7. DMFT bath solid + =

  8. DMFT bath • Hubbard model • PT, NCA, SPT-FLEX etc. • Quantum Monte Carlo • Exact diagonalization • Cluster

  9. solid DMFT DMFT+LDA: DMFT+GW:

  10. DMFT L-SIC FPLO Paris Daresbury Dresden Nijmegen Rutgers Århus Århus Uppsala Århus Uppsala Daresbury

  11. Work Plan • Methodological developments • Actinides • Pu • Am • Np • U • Rare earth systems • Surface magnetism

  12. δ-Pu PuO2 PuCoGa5

  13. Actinides Uppsala U, Np, Am Pu Rutgers Nijmegen Paris Århus Daresbury Dresden

  14. Work Plan • Methodological developments • Actinides • Rare earth systems • Ce, optical Prop’s CexSy, Ceon Ag • SmX, TmX • Luminescence, magneto-calorics • Surface magnetism

  15. Yb Cerium Cerium SmX

  16. Rare earths Nijmegen Ce CexSy SmX Le Mans Århus Rutgers Paris Århus Daresbury Uppsala Nijmegen Le Mans magn-cal Uppsala Dresden YBCO lumin. Århus Daresbury Uppsala Daresbury Nijmegen

  17. Work Plan • Methodological developments • Actinides • Rare earth systems • Surfaces and magnetism • surface FPLO • U/ W(110) • Gd(0001), Sm(0001) • Non-collinear magn.UO2, LaCrSb3

  18. UO2 U/W(110)

  19. Surfaces and Magnetism Dresden Nijmegen Uppsala Le Mans Århus Daresbury

  20. Joint Publications • 35 joint papers • 1 Science • 5 PRL • 2 EPL • 10 PRB • 21 postdoc publications • appr. half pre-network stuff • Full list: //http:www.phys.au.dk/~svane/rtn.htm Work supported in part by the European Commission Human Potential Programme under contract No. HPRN-CT-2002-00295, ’psi-k f-electron’

  21. Training and Networking

  22. PostDoc Employment Århus G. Santi M. Lüders Daresbury D. Ködderitzsch M. Däne Dresden F. Tasnadi L. Pourovskii Nijmegen A. Griechnev Paris F. Lechermann Uppsala S. Lebegue L. Toorpo Le Mans R. Windiks 95.5 189 222 Midterm

  23. Work Plan • Methodological developments • Actinides • Rare earth systems • Surface magnetism • Workshops • Newsletter and homepage

  24. NetworkMeetings • Workshops: • Santa Barbara: ’Realistic Theories of Correlated Electron Materials ’, autumn 2002 • Actinide Users Meeting, Karlsruhe, March 2003 • EURESCO: ’ab-initio Many-Body Theory for Correlated Electron Systems’, Trieste, August 2003 • 1st annual workshop: ’The Physics of f-electrons’, Århus, November 2003

  25. NetworkMeetings, ctd. • Workshops: • Winter Workshop: ’The electronic structure of the Light Actinides’, Riksgränsen, May 2004 • 2nd annual workshop: ’ Electronic Structure of Correlated Materials’, Paris, December 2004 • Psik2005 Conference, September 2005 • Industry Workshop, 2006

  26. NetworkMeetings, ctd. • Tutorials: • FPLO hands-on, Dresden, March 2003 UC-Davis, June 2004,2005 • DMFT tutorial, Daresbury, June 2003 • DMFT hands-on, Hamburg, June 2005 • KKR hands-on, München, 2005

  27. Network Meetings Paris Industry Wkshp Karlsruhe Århus Meetings ? Santa Barbara Trieste Riksgränsen Psik2005 DMFT DMFT ? ? Tutorials FPLO FPLO KKR FPLO

  28. Workshops Århus Daresbury Newsletters Daresbury Nijmegen Uppsala Le Mans Dresden Rutgers Paris

  29. Visits FROM TO

  30. Finances

  31. NetworkFinances As of November 1st 2004 Post-doc training: 43 % Time elapsed: 54 %

  32. NetworkFinances, ctd. Euro As of November 1st 2004

More Related