“…The tight-binding Hamiltonian matrix is composed of three parts: the left and right leads, and the middle region, where the incoming Bloch waves from the left lead are scattered into outgoing Bloch states of the right lead. By solving the Schrödinger equation for the tight-binding Hamiltonian, we determine the transfer coefficients t k ⊥,i →k ⊥,j (E, k ), which describe the probability of tunneling from the incoming state k ⊥,i to the outgoing state k ⊥,j for given electron energy E and wave vector parallel to the surface k [8]. The tunneling current j is given by,…”