Giant Enhancement of Seebeck Coefficient by Deformation of Silicene Buckled Structure in Calcium‐Intercalated Layered Silicene Film (Adv. Mater. Interfaces 1/2022)

Buckled silicene formation on Ir(111).

Silicene, a two-dimensional (2D) honeycomb structure similar to graphene, has been successfully fabricated on an Ir(111) substrate. It is characterized as a (√7×√7) superstructure with respect to the substrate lattice, as revealed by low energy electron diffraction and scanning tunneling microscopy. Such a superstructure coincides with the (√3×√3) superlattice of silicene. First-principles calc...

Giant magnetoresistance in silicene nanoribbons.

By performing first-principle quantum transport calculations, we predict a giant magnetoresistance in zigzag silicene nanoribbons (ZSiNRs) connecting two semi-infinite silicene electrodes through switch of the edge spin direction of ZSiNRs. Spin-filter efficiency of both the antiferromagnetic and ferromagnetic ZSiNRs is sign-changeable with the bias voltage. Therefore, potential application of ...

Silicene: Recent theoretical advances

INVITED TALKS - ABSTRACTS “Buckled Atomic Sheets: The Intriguingly Complex Case of Phosphorene and Silicene”

Buckled atomic sheets such as phosphorene and silicene promise interesting anisotropic phenomena and strongly coupled multi-physics. Experimental properties and ageing effect are among the biggest topics. Here, we report key results of critical importance for device studies and understanding including phosphorene devices featuring: i) record mobility (μ) ~1560cm2/V.s about an order of magnitude...

How silicene on Ag(111) oxidizes: microscopic mechanism of the reaction of O2 with silicene.

We demonstrate, using first-principles molecular-dynamics simulations, that oxidation of silicene can easily take place either at low or high oxygen doses, which importantly helps clarify previous inconsistent reports on the oxidation of silicene on the Ag(111) substrate. We show that, while the energy barrier for an O2 molecule reacting with a Si atom strongly depends on the position and orien...