Properties of homo- and hetero-Schottky junctions from first principle calculations

Abstract

Electronic structure calculations for a homo-material semimetal (thick Sn)/semiconductor (thin Sn) heterodimensional junction and two conventional metal (Ag or Pt)/silicon hetero-material junctions are performed. Charge distributions and local density of states are examined to compare the physics of junctions formed by quantum confinement in a homo-material, heterodimensional semimetal junction with that of conventional Schottky hetero-material junctions. Relative contributions to the Schottky barrier heights are described in terms of the interface dipoles arising due to charge transfer at the interface and the effects of metal induced gap states extending into the semiconducting regions. Although the importance of these physical mechanisms vary for the three junctions, a single framework describing the junction energetics captures the behaviors of both the heterodimensional semimetal junction and the more conventional metal/semiconductor junctions.

Impact of stoichiometry and strain on Ge1−x Sn x alloys from first principles calculations

“…16,[18][19][20][21] In the latter region, the nanostructure thickness is chosen below the length required to induce the opening of a band gap via quantum confinement, thereby allowing formation of a Schottky-like barrier within a single material. 16,22 Notably, for such a junction no impurity doping is required, thereby eliminating fabrication challenges such as dopant segregation and dopant fluctuations on the few nanometre scale, nor is there a requirement to create a heterojunction. Electronic devices can be engineered with critical dimensions just above and below the critical length for quantum confinement to create rectifying diodes from the thick/thin junction's rectifying characteristics, or transistors by gating back-to-back thick/thin junctions.…”

“…Hence the conduction and valence band offsets are roughly symmetric, each being approximately equal to one-half of the magnitude of the quantum confinement-induced band gap. 22 Diamond-structured α-Sn is a group-IV semimetal, with its crystal structure and electronic properties making it promising for electronics applications. However, the use of semimetallic α-Sn for device engineering presents two severe challenges from a practical per-spective.…”

“…The objective is to exploit quantum confinement effects in semimetallic thin films, nanowires or twodimensional layers to create a thick semimetallic region abutting a thin semiconducting region [16,[18][19][20][21]. In the latter region, the nanostructure thickness is chosen below the length required to induce the opening of a band gap via quantum confinement, thereby allowing formation of a Schottky-like barrier within a single material [16,22]. Notably, for such a junction no impurity doping is required, thereby eliminating fabrication challenges such as dopant segregation and dopant fluctuations on the few nanometre scale, nor is there a requirement to create a heterojunction.…”

Exploring conductivity in ex-situ doped Si thin films as thickness approaches 5 nm

“…30 Meta-GGA also provides an improved description for the bulk and 2D electronic structure. 31 FIG. 8.…”

Impact of stoichiometry and strain on Ge$_{1-x}$Sn$_{x}$ alloys from first principles calculations

“…16,[18][19][20][21] In the latter region, the nanostructure thickness is chosen below the length required to induce the opening of a band gap via quantum confinement, thereby allowing formation of a Schottky-like barrier within a single material. 16,22 Notably, for such a junction no impurity doping is required, thereby eliminating fabrication challenges such as dopant segregation and dopant fluctuations on the few nanometre scale, nor is their a requirement to create a heterojunction. Electronic devices can be engineered with critical dimensions just above and below the critical length for quantum confinement to create rectifying diodes from the thick/thin junction's rectifying characteristics, or transistors by gating back-to-back thick/thin junctions.…”