Quantum transport through the edge states of zigzag phosphorene nanoribbons in presence of a single point defect: analytic Green’s function method

Abstract

Zigzag phosphorene nanoribbons have quasi-flat band edge modes entirely detached from the bulk states. We analytically study the electronic transport through such edge states in the presence of a localized defect for semi-infinite and finite ribbons. Using the tight-binding model, we derive analytical expressions for the Green's function and transmission amplitude of both pristine and defective nanoribbons. We find that the transmission of both semi-infinite and finite ribbons is sensitive to the location of a single impurity defect with respect to the edge. By the presence of an impurity on the outermost edge site of the ribbon, the transmission through the edge channel, similar to a one-dimensional chain, strongly suppresses for the entire energy spectrum of the quasiflat band. In contrast, the transmission of low-energy (E ≈ 0) states, is robust as the impurity is moved one position far away from the edge on the same sub-lattice. The analytical calculations are also complemented by exact numerical transport computations using the Landauer approach. arXiv:1810.03042v1 [cond-mat.dis-nn]

Thermoelectric properties of armchair phosphorene nanoribbons in the presence of vacancy-induced impurity band

“…While it is sufficient 35,36 to describe the low-energy region of the band structure of phosphorene by considering the hopping integrals up to the fifth-nearest neighbors (see Fig. 1 (b)), we only keep the important hopping terms to the first-, second-, and fourth-nearest neighbors in our analytic calculations 34,37,38 . The values of these hopping integrals are t 1 = −1.220 eV, t 2 = 3.665 eV, t 3 = −0.205 eV, t 4 = −0.105 eV, and t 5 = −0.055 eV 35 .…”

Multiorbital edge and corner states in black phosphorene

“…For phosphorene, on the other hand, the previous theoretical studies showed that the edge states emerge at both zigzag and armchair edges [25][26][27][28][29][30][31]. It was also pointed out that the edge states in phosphorene influence the electronic transport [32,33] and performance as a electrocatalyst for the hydrogen evolution reaction [34].…”

Taylor series of Landauer conductance

“…armchair-type carbon nanotubes with site defects [14], armchair graphene nanoconstrictions (GNC) [15], zigzag phosphorene nanoribbons with site defects [16], molecular wires [17,18], graphene nanobubbles [19], graphene heterojunctions [20], graphene nanoribbons with defects [21], and parallel armchair nanotubes [22]. Transparent states have also been analytically demonstrated in atomic chains with impurities following Fibonacci orderings [4], atomic chains with Fano defects [9], and disordered nanotapes with Fano defects [8].…”