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Multiscale Analysis for Field-Effect Penetration through Two-Dimensional Materials.

Tian Tian1, Peter Rice2,3, Elton J G Santos2,3

  • 1Institute for Chemical and Bioengineering, ETH Zürich , Zürich 8093, Switzerland.

Nano Letters
|July 14, 2016
PubMed
Summary
This summary is machine-generated.

We developed a multiscale model to understand field effect penetration in 2D materials quantum capacitors. Graphene exhibits high transparency, enabling tunable device characteristics.

Keywords:
ab initio calculationsfield effectgraphenequantum capacitancetransition metal dichalcogenidestwo-dimensional materials

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Nanotechnology

Background:

  • Gate-tunable quantum capacitors (QCs) and van der Waals heterostructures utilize field effects for tuning properties.
  • Previous studies often overlook or oversimplify field effect penetration through 2D materials.

Purpose of the Study:

  • To model the field effect penetration through graphene in metal-oxide-graphene-semiconductor (MOGS) quantum capacitors.
  • To quantify graphene's "transparency" to electric displacement fields.
  • To establish design rules for 2D material-based QCs.

Main Methods:

  • A multiscale theoretical approach combining first-principles electronic structure calculations.
  • Poisson-Boltzmann equation to model field effect penetration.
  • Quantification of graphene's transparency to electric displacement fields.

Main Results:

  • Field effect penetration through graphene modulates semiconductor space charge density nonlinearly.
  • Graphene exhibits high transparency to electric displacement fields.
  • A ranking of monolayer 2D materials by transparency was predicted: graphene > silicene > germanene > WS2 > WTe2 > WSe2 > MoS2 > phosphorene > MoSe2 > MoTe2.

Conclusions:

  • The transparency of 2D materials is governed by quantum capacitance and semiconductor capacitance.
  • This work provides a general framework for understanding operation modes and design principles in 2D material-based QCs.