BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Electron transport across interfaces - Kurt Stokbro\, Copenhagen\,
  Denmark
DTSTART:20130812T131500Z
DTEND:20130812T141500Z
UID:TALK46645@talks.cam.ac.uk
CONTACT:Teri Bartlett
DESCRIPTION:I will present simulations of the electron transport across a 
 number of different interfaces\, including metal-organic\, metal-graphene 
 and metal-metal interface. I will show how the structure of the interface 
 can be efficiently obtained using the ATK[1] interface builder. I will pre
 sent calculations for the graphene-nickel interface[2] and the   Au(111)-p
 entacene interface[3] using non-equilibrium Green's functions and density-
 functional theory (NEGF-DFT)\, and calculations of the contact resistance 
  and bias-dependent electron transmission[2]. For the latter I will show t
 hat the conventional semiconductor transport models across Schottky barrie
 rs need to be modified in order to describe the simulation data. \nI will 
 also present a general overview of the ATK simulation packages and new fea
 tures for simulating spintronics\, spin torque\, thermoelectrics\, capacit
 ance and p-i-n junctions.\nREFERENCES\n[1] Reference to more than 700 publ
 ications obtained with ATK available at quantumwise.com/publications\n[2] 
 K. Stokbro\, M. Engelund and A. Blom\, Atomic-scale model for the contact 
 resistance of the nickel-graphene interface\, Phys. Rev. B  85\, 165442 (2
 012)\n[3] K. Stokbro and S. Smidstrup\, Electron transport across a metal-
 organic interface. http://arxiv.org/abs/1306.2731\n\nFigure: Local DOS of 
 the gold-pentacene interface along the z-direction\, integrated over x\,y.
   Note the formation of a Schottky barrier\n
LOCATION:Mott Seminar Room\, Cavendish Laboratory\, Department of Physics
END:VEVENT
END:VCALENDAR