Role of asymmetric magnetic electrodes in tuning spin selective rectification action of borazine [B3N3H6

Abstract

Herein, we examine the role of magnetic and non-magnetic electrodes and molecule-electrode anchor group in inducing simultaneous exhibition of spin filtration and rectification action in borazine. Magnetic electrodes preferred are iron and nickel; where as non-magnetic electrode used is gold; with anchor group varying from thiol ended molecule on either end to that at only one end. Two-probe systems developed, manifests large equilibrium spin filter efficiency (85%) with gold-nickel combinations, however dual nature of spin filtration and rectification is profusely evident with gold-iron combinations with thiol ended electrode-molecule contact on either end. Results obtained, have been explained through the transmission spectra obtained at equilibrium and ±1V. A molecular level explanation has been provided through the analysis of molecular projected Hamiltonian states obtained at equilibrium and ±1V. These results along with projected device density states analysis establish the role of d orbital of nickel or iron in inducing the observed feature.