The energy band structure and conduction properties of DNA

Abstract

The all-valence electron (cs[)o;2 and MIND0 2) band structures of the homopolynucleotides are compared with those of the sugar-phosphate backbonc of DNA. It is concluded that the possibility of a charge !ransfer reaction from the valence band of the poly (base pairs) (coming from the highest fl!ed guanine levell to the low-lying rather broad conduction hand of the strictly periodic sugar-phosphate chain cannot be excluded. The conssquences of this assumed charge transfer reaction on the conduction properties of DNA are discussed.

Interface-Induced Conservation of Momentum Leads to Chiral-Induced Spin Selectivity

“…As in previous CISS models, − ,,, we assume that the electric field induced by the molecule is helical-symmetric and that the field on the helical path is oriented in the normal direction, E = E e N ( s ) with constant E , where the normal unit vector e N ( s ) depends on the position s . The dynamics of the electron wavepacket is governed by an effective Hamiltonian of the form where p s = − iℏ∂ s is the momentum operator in the tangential direction e T ( s ), m h = 10 m e is the effective electron mass , with m e its rest mass, and U h is a constant potential energy shift. The anticommutator term in eq represents the spin–orbit interaction, which is generally described by H SOC = − σ ·( α × p ), where α is proportional to E and quantifies the SOC strength via its magnitude α.…”

“…where p s = −iℏ∂ s is the momentum operator in the tangential direction e T (s), m h = 10 m e is the effective electron mass 34,35 with m e its rest mass, and U h is a constant potential energy shift. The anticommutator term in eq 1 represents the spin− orbit interaction, which is generally described by…”

Interface-Induced Conservation of Momentum Leads to Chiral-Induced Spin Selectivity

“…where p s = −i ∂ s is the momentum operator in the tangential direction e T (s), m h = 10 m e is the effective electron mass [30,31] with m e its rest mass, and U h is a constant potential energy shift. The last term in Eq.…”