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We report on total-energy electronic structure calculations in the density-functional theory performed for the ultra-thin atomic layers of Si on Ag(111) surfaces. We find several distinct stable silicene structures:…

Mesoscale and Nanoscale Physics · Physics 2015-05-05 Zhi-Xin Guo , Atsushi Oshiyama

By using first-principles calculations, we systematically investigated several observed phases of silicene on Ag(111) substrates and their electronic structures. We find that the original Dirac cone of silicene is about 1.5-1.7 eV deeply…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Yakun Yuan , Ruge Quhe , Jiaxin Zheng , Yangyang Wang , Zeyuan Ni , Junjie Shi , Jing Lu

We investigate the currently debated issue of the existence of the Dirac cone in silicene on an Ag(111) surface, using first-principles calculations based on density functional theory to obtain the band structure. By unfolding the band…

Materials Science · Physics 2015-04-15 Yun-Peng Wang , Hai-Ping Cheng

The discovery of (4x4) silicene formation on Ag(111) raised the question on whether silicene maintains its Dirac fermion character, similar to graphene, on a supporting substrate. Previous photoemission studies indicated that the {\pi}-band…

We report on total-energy electronic-structure calculations in the density-functional theory performed for both monolayer and bilayer silicene on Ag(111) surfaces. The rt3 x rt3 structure observed experimentally and argued to be the…

Mesoscale and Nanoscale Physics · Physics 2014-04-15 Zhi-Xin Guo , Atsushi Oshiyama

The electronic structure of the recently synthesised (3x3) reconstructed silicene on (4x4) Ag(111) is investigated by first-principles calculations. New states emerge due to the strong hybridization between silicene and Ag. Analyzing the…

Silicene, a sheet of silicon atoms in a honeycomb lattice, was proposed to be a new Dirac-type electron system similar as graphene. We performed scanning tunneling microscopy and spectroscopy studies on the atomic and electronic properties…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Lan Chen , Cheng-Cheng Liu , Baojie Feng , Xiaoyue He , Peng Cheng , Zijing Ding , Sheng Meng , Yugui Yao , Kehui Wu

Silicene, the silicon equivalent of graphene, is attracting increasing scientific and technological attention in view of the exploitation of its exotic electronic properties. This novel material has been theoretically predicted to exist as…

Materials Science · Physics 2023-06-30 Paolo Moras , Tevfik Onur Menteş , Polina M. Sheverdyaeva , Andrea Locatelli , Carlo Carbone

In the case of graphene, hydrogenation removes the conductivity due to the bands forming the Dirac cone by opening up a band gap. This type of chemical functionalization is of utmost importance for electronic applications. As predicted by…

Materials Science · Physics 2017-12-07 W. Wang , W. Olovsson , R. I. G. Uhrberg

The "multilayer silicene" films were grown on Ag(111), with increasing thickness above 30 monolayers (ML). We found that the "multilayer silicene" is indeed a bulk Si(111) film. Such Si film on Ag(111) always exhibits a root(3)xroot(3)…

Mesoscale and Nanoscale Physics · Physics 2014-05-30 Jian Chen , Wenbin Li , Baojie Feng , Peng Cheng , Jinglan Qiu , Lan Chen , Kehui Wu

Freestanding silicene, a monolayer of Si arranged in a honeycomb structure, has been predicted to give rise to massless Dirac fermions, akin to graphene. However, Si structures grown on a supporting substrate can show properties that…

Mesoscale and Nanoscale Physics · Physics 2015-05-25 Jiagui Feng , Sean Wagner , Pengpeng Zhang

Silicene, analogous to graphene, is a one-atom-thick two-dimensional crystal of silicon which is expected to share many of the remarkable properties of graphene. The buckled honeycomb structure of silicene, along with its enhanced…

Absence of the Dirac cone due to a strong band hybridization is revealed to be a common feature for epitaxial silicene on metal substrates according to our first-principles calculations for silicene on Ir, Cu, Mg, Au, Pt, Al, and Ag…

Materials Science · Physics 2014-05-28 Ruge Quhe , Yakun Yuan , Jiaxin Zheng , Yangyang Wang , Zeyuan Ni , Junjie Shi , Dapeng Yu , Jinbo Yang , Jing Lu

Silicene, the two-dimensional allotrope of silicon, is predicted to exist in a low-buckled honeycomb lattice, characterized by semimetallic electronic bands with graphenelike energy-momentum dispersions around the Fermi level (represented…

Materials Science · Physics 2018-01-10 A. Sindona , A. Cupolillo , F. Alessandro , M. Pisarra , D. C. Coello Fiallos , S. M. Osman , L. S. Caputi

We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab-initio calculations. We demonstrate that due to weak interaction quasi-freestanding silicene is realized in this system. The small binding…

Mesoscale and Nanoscale Physics · Physics 2014-06-25 S. Sattar , R. Hoffmann , U. Schwingenschlögl

Using full potential density functional calculations within local density approximation (LDA), we report our investigation of the structural electronic properties of silicene (the graphene analogue of silicon), the strips of which has been…

Mesoscale and Nanoscale Physics · Physics 2012-01-06 Harihar Behera , Gautam Mukhopadhyay

In this paper we report on several structures of silicene, the analog of graphene for silicon, on the silver surfaces Ag(100), Ag(110) and Ag(111). Deposition of Si produces honeycomb structures on these surfaces. In particular, we present…

Materials Science · Physics 2015-06-05 Hanna Enriquez , Sébastien Vizzini , Abdelkader Kara , Boubekeur Lalmi , Hamid Oughaddou

The band structure of the recently synthesized (3$\times$3) silicene monolayer on (4$\times$4) Ag(111) is investigated using density functional theory. A $k$-projection technique that includes the $k_\bot$-dependence of the surface bands is…

Materials Science · Physics 2014-09-12 M. X. Chen , M. Weinert

We performed low temperature scanning tunneling microscopy (STM) and spectroscopy (STS) studies on the electronic properties of (R3xR3)R30{\deg} phase of silicene on Ag(111) surface. We found the existence of Dirac Fermion chirality through…

Mesoscale and Nanoscale Physics · Physics 2013-10-08 Baojie Feng , Hui Li , Cheng-Cheng Liu , Tingna Shao , Peng Cheng , Yugui Yao , Sheng Meng , Lan Chen , Kehui Wu

Density functional theory with local density approximation for exchange and correlation functional is used to tune the electronic band structure of silicene monolayer. The cohesive energy of free standing monolayer is increasing…

Materials Science · Physics 2015-06-17 Gul Rahman
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