Xiaoguang Zhang (University of Florida): Generalized Landauer Formula for Finite Biases

Quantum transport theory yields the celebrated Landauer formula for the conductance of a two-terminal device at zero bias in terms of T(EF,0), the transmission coefficient T(E,V) evaluated at the Fermi energy EF and V=0. For finite biases, one must use the nonequilibrium Green’s function (NEGF) method, which entails substantial difficulties. Instead of NEGF calculations, T(E,0) is often interpreted as representing transport at V=E/e. This practice is seriously flawed. In its stead, we employ quantum transport theory to derive a simple finite-bias analog of the Landauer formula. The new formula expresses the differential conductance dI/dV at a bias V in terms of T(μL,2V)+T(μR,2V) and reduces to the Landauer formula at V=0. This new formula is tested for a benzene molecular junction and a magnetic tunnel junction, and is shown to yield excellent agreement with a full NEGF calculation without the need for a self-consistent calculation of T(E,V).