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Related Experiment Video

Updated: Mar 23, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Published on: October 12, 2019

Graphene-like Two-Dimensional Ionic Boron with Double Dirac Cones at Ambient Condition.

Fengxian Ma¹, Yalong Jiao¹, Guoping Gao¹

¹School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology , Gardens Point Campus, Queensland 4001, Brisbane, Australia.

|April 7, 2016

Summary

Researchers discovered two-dimensional (2D) ionic boron at ambient pressure. This novel material exhibits exceptional electronic properties, including double Dirac cones and high Fermi velocity, making it promising for nanoelectronics.

Keywords:

2D boron Dirac cones density functional theory graphene-like structure particle swarm optimization

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Published on: March 4, 2021

Area of Science:

Condensed Matter Physics
Materials Science
Computational Chemistry

Background:

Partially ionic boron (γ-B28) was previously observed in bulk form under high pressure.
Exploring lower-dimensional boron structures is crucial for understanding its properties.

Purpose of the Study:

To predict and characterize two-dimensional (2D) ionic boron at ambient pressure.
To investigate the stability and electronic properties of this novel 2D boron phase.

Main Methods:

Ab initio evolutionary structure search.
Phonon spectrum analysis for dynamical stability.
Ab initio molecular dynamics simulations for thermal stability.

Main Results:

Prediction of a stable 2D ionic boron structure (P6/mmm space group) with lower energy than α-sheet.
Confirmation of dynamical and thermal stability.
Observation of double Dirac cones and massless Dirac Fermions due to charge transfer.
Predicted Fermi velocity (2.3 × 10^6 m/s) significantly higher than graphene.

Conclusions:

This study reports the first 2D ionic boron at atmospheric pressure.
The unique electronic structure suggests potential applications in nanoelectronics.
The enhanced stability and electronic properties make it a promising new 2D material.