slides (pdf)

I
p
( ) ( )
2
V = ∫ T , ( ) ( ) = ∫ ( )
lr E V fl
E fr
E dE Tlr
E
Using
Concept of Ab-Initio Device Simulation
2
8π
e
h
device
• Landauer formula for I p (V)
Zhang, Fonseca, Demkov, Phys Stat Sol (b), 233, 70 (2002)
Computational Materials Science and Engineering
E
E
F
F
+ V
/ 2
−V
/ 2
• Lippmann-Schwinger equation, T lr (E) = 〈 l⏐V + VGV ⏐r 〉
• Rigid-band approximation T(E,V) = T(E + ηV) with η = 0.5
2
dE