# Two- and one-dimensional honeycomb structures of silicon and germanium.

@article{Cahangirov2009TwoAO, title={Two- and one-dimensional honeycomb structures of silicon and germanium.}, author={Seymur Cahangirov and Mehmet Topsakal and Ethem Akt{\"u}rk and Hasan Sahin and Salim Ciraci}, journal={Physical review letters}, year={2009}, volume={102 23}, pages={ 236804 } }

First-principles calculations of structure optimization, phonon modes, and finite temperature molecular dynamics predict that silicon and germanium can have stable, two-dimensional, low-buckled, honeycomb structures. Similar to graphene, these puckered structures are ambipolar and their charge carriers can behave like a massless Dirac fermion due to their pi and pi(*) bands which are crossed linearly at the Fermi level. In addition to these fundamental properties, bare and hydrogen passivated… Expand

#### Paper Mentions

#### 2,125 Citations

Electronic properties of two-dimensional hexagonal germanium

- Physics
- 2010

The electronic properties of two-dimensional hexagonal germanium, so called germanene, are investigated using first-principles simulations. Consistent with previous reports, the surface is predicted… Expand

Electronic structure and quasiparticle bandgap of silicene structures

- Materials Science, Physics
- 2013

We report first-principles results on the electronic structure of silicene. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their… Expand

First-Principles Study of Ferromagnetism in Two-Dimensional Silicene with Hydrogenation

- Chemistry
- 2012

We performed first-principles simulation on the electronic structure and magnetic properties of two-dimensional hexagonal silicene, which was recently synthesized. The results show that the weak… Expand

Adsorption-enhanced spin-orbit coupling of buckled honeycomb silicon

- Materials Science
- 2016

We have studied the electronic structures of quasi-two-dimensional buckled honeycomb silicon (BHS) saturated by atomic hydrogen and fluorine by means of first-principles calculations. The… Expand

First-principles study of monolayer and bilayer honeycomb structures of group-IV elements and their binary compounds

- Physics
- 2011

Abstract By using first-principles pseudopotential method, we investigate the structural, vibrational, and electronic properties of monolayer and bilayer honeycomb structures of group-IV elements and… Expand

Can silicon behave like graphene? A first-principles study

- Materials Science
- 2010

The electronic properties of two-dimensional hexagonal silicon (silicene) are investigated using first-principles simulations. Though silicene is predicted to be a gapless semiconductor, due to the… Expand

Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2

- Materials Science
- Nano Research
- 2011

AbstractThe electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS2) subjected to biaxial strain have been investigated using first-principles calculations based… Expand

Two-Dimensional C4N Global Minima: Unique Structural Topologies and Nanoelectronic Properties

- Physics
- 2017

Atomically thin 2D materials have drawn great attention due to their many potential applications. We herein report two novel structures of 2D C4N identified by first-principles calculations in… Expand

Design of half-metallic ferromagnetism in germanene/silicene hybrid sheet

- Materials Science
- 2014

Abstract In this theoretical work, we perform first-principles calculation to study the geometric, electronic, and magnetic properties of the two-dimensional germanene and silicene hybrid sheet… Expand

One-dimensional silicon and germanium nanostructures with no carbon analogues.

- Materials Science, Chemistry
- Physical chemistry chemical physics : PCCP
- 2014

New silicon and germanium tubular nanostructures with no corresponding stable carbon analogues are reported, which are semiconducting with small indirect band gaps, which can be significantly altered by both compressive and tensile strains. Expand

#### References

SHOWING 1-10 OF 12 REFERENCES

first-principles spin-polarized and spin-unpolarized plane-wave calculations within local density approximation (LDA) [D.M

- Ceperley and B. J. Alder, Phys. Rev. Lett. 45,
- 1980

Phys

- Rev. 170, 705
- 1968

Phys

- Rev. B 78, 245402
- 2008

Rev

- B 78, 245402
- 2008

Nature Mater

- 6, 183
- 2007

Nature Materials

- 6, 183
- 2007

Phys

- Rev. B 72, 075420 (2005); similar analysis has been done on Si nanotubes M. Zhang et al., Chem. Phys. Lett. 379, 81
- 2003

Phys

- Rev. B 50, 14 916
- 1994

Similar analysis has been done on Si nanotubes M . Zhang et

- Phys . Rev . B
- 1994

We have performed first - principles spin - polarized and spin - unpolarized plane - wave calculations within local density approximation ( LDA ) [ D . M . Ceperley

- 1994