Tunable electronic properties of ZnO nanowires and nanotubes under a transverse electric field

Abstract

Using the density functional theory, we investigate the electronic properties of ZnO nanowires (NWs) and faceted nanotubes (NTs) under a transverse electric field. We find that the band gap of ZnO nanostructures tends to decrease as the electric field is increased, and the variation of the band gap is dependent upon the diameter and wall thickness. Furthermore, the applied electric field could induce semiconductor-metal transition and enhance the electron effective mass. These results provide a valuable guide for the future application of ZnO nanostructures in the field of microelectronic and optoelectronic materials and nanodevices.

Electric‐field‐induced magnetism of first‐row d0 semiconductor nanowires and nanotubes

“…In fact, as shown in Fig. (c), the band gaps of all the calculated ZnO, GaN, and InN NWs/NTs decrease as F increases, which is consistent with previous work . The reduction of band gap under F , also known as the giant Stark effect , is usually attributed to charge redistribution induced by the breakdown of electrostatic potential symmetry.…”

Field evaporation of ZnO: A first-principles study

“…However, these calculations were largely lacking for semiconductors, oxides and other insulators until recent studies on Si, MgO, and ZnO [15][16][17][18][19] for which the theoretical framework was developed. Related theoretical works on the effects of electric fields (<1 V/Å ) on ZnO-graphene composites, 20 formaldehyde adsorption on ZnO nanotubes, 21 and ZnO nanowires and nanotubes 22 show a reduction in the band gap or HOMO-LUMO gap of ZnO with an increase in the electric field as we had shown earlier for MgO. 17 In low electrostatic fields, typically below $0.1 V/Å , atoms, molecules, and condensed matter only get polarized; we call these effects physical.…”

Investigating the effect of geometrical asymmetry on conductance and TMR ratio in the ZnO rock salt-based MTJ: a DFT study

“…Owing to its wide band gap ( 3.37eV ), zinc oxide with wurtzite hexagonal crystalline structure is considered as a promising semiconductor material for electronic, optoelectronic, and spintronic applications [11][12][13][14][15][16]. Moreover, ZnO can have a rock-salt crystalline structure with a wide band gap ( 2.45eV ), which makes it an attractive material to be considered as the non-magnetic tunnel barrier in spintronic and MTJ devices.…”