Spin Logic Gates Operated by Protonation and Magnetism in Molecular Combinational Circuits

Abstract

The protonation and magnetism effects on the spin transport properties of benzo[b]phenazine (BPE) and bis(o-phenylenediamine) manganese (IV) complex (Mn-OPD) molecules in series and in parallel are theoretically investigated using density functional theory (DFT) combined with nonequilibrium Green's function method (NEGF). The spin-resolved currentvoltage curves show that the magnetic field mainly regulate the spin-polarized direction of current, and the protonation effect will significantly reduce the magnitude of spin-polarized current. Moreover, under two orthogonal inputs, the molecular combinational circuits can behave as AND and OR spin logic gates, suggesting the application potential of integrating logic operations for future spin-based nanoelectronics. In addition, we have observed the Fano resonance phenomenon in the parallel molecular junction, and the Fano resonance feature can be canceled by protonation effect. This work proposes a feasible way to construct a complex single-molecule spin logic gate device.

Modulation of Electronic Behaviors of InSe Nanosheet and Nanoribbons: The First‐Principles Study

“…In order to explain the NDR effect in the I–V curves of zISNs systems, the bias‐dependent transmission spectra of M4 and M5 model devices with bias voltage from 0 to 1.0 V are plotted in Figure a and b, respectively. The Landauer–Büttiker formula has been employed to calculate the current when a voltage bias is applied between L and R electrodes, with and assumed . In the bias‐dependent transmission spectrum, the chemical potentials of the left and right electrodes are separated by the bias and distributed evenly around the .…”

Control of molecular conductance by pH

“…We note that theoretical calculations have proposed that protonation is capable of modulating the spin transport properties of specific molecules and the combined implementation of pH and magnetic field could modulate the direction and intensity of spin–polarized current. 27,84,85 These works hold promise for new observations to be made in protonation-controlled single molecule spin transport under magnetic fields.…”

The emergence of the local moment molecular spin transistor

“…The molecular transistors, discussed so far, have not been accompanied by any evidence of nonvolatile switching at room temperature: the device measurement were carried out at temperatures below 30 K. To obtain molecular spintronic devices functional, operational at temperatures closer to room temperature route, the molecular systems exhibiting a robust spin transition have begun to attract increasing attention [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15]. The spin crossover phenomenon, representing transitions between two distinguishable spin states, occurs in a large variety of 3d transition metal molecular compounds [30,31] [62], if this can be demonstrated reliably at room temperature. Zhang et al [63] showed that for spin crossover molecular films of [Fe(H2B(pz)2)2bipy],…”