320 likes | 424 Views
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.
E N D
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 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
Psi-k Network (ESF) Electronic structure theory RTN: Psi-k f-electron RTN: Magnetoelectronics RTN: Exciting Newsletter Workshops Psik2005 Conference
Work Plan • Methodological developments • Actinides (Z ≥ 90) • Rare earth systems (Z=58,..,70) • Surface magnetism • Workshops • Newsletter and homepage
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
DMFT bath solid + =
DMFT bath • Hubbard model • PT, NCA, SPT-FLEX etc. • Quantum Monte Carlo • Exact diagonalization • Cluster
solid DMFT DMFT+LDA: DMFT+GW:
DMFT L-SIC FPLO Paris Daresbury Dresden Nijmegen Rutgers Århus Århus Uppsala Århus Uppsala Daresbury
Work Plan • Methodological developments • Actinides • Pu • Am • Np • U • Rare earth systems • Surface magnetism
δ-Pu PuO2 PuCoGa5
Actinides Uppsala U, Np, Am Pu Rutgers Nijmegen Paris Århus Daresbury Dresden
Work Plan • Methodological developments • Actinides • Rare earth systems • Ce, optical Prop’s CexSy, Ceon Ag • SmX, TmX • Luminescence, magneto-calorics • Surface magnetism
Yb Cerium Cerium SmX
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
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
UO2 U/W(110)
Surfaces and Magnetism Dresden Nijmegen Uppsala Le Mans Århus Daresbury
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’
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
Work Plan • Methodological developments • Actinides • Rare earth systems • Surface magnetism • Workshops • Newsletter and homepage
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
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
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
Network Meetings Paris Industry Wkshp Karlsruhe Århus Meetings ? Santa Barbara Trieste Riksgränsen Psik2005 DMFT DMFT ? ? Tutorials FPLO FPLO KKR FPLO
Workshops Århus Daresbury Newsletters Daresbury Nijmegen Uppsala Le Mans Dresden Rutgers Paris
Visits FROM TO
NetworkFinances As of November 1st 2004 Post-doc training: 43 % Time elapsed: 54 %
NetworkFinances, ctd. Euro As of November 1st 2004