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silicene spintronics——A concise review

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Chinese Physics B 2015年第8期24卷 56-66页

作者：王洋洋屈贺如歌俞大鹏吕劲 State Key Laboratory for Mesoscopic Physics and School of Physics Peking University Department of Nuclear Science and Engineering and Department of Materials Science and Engineering Massachusetts Institute of TechnologyCambridge Academy for Advanced Interdisciplinary Studies Peking University State Key Laboratory of Information Photonics and Optical Communications Beijing University of Posts and Telecommunications School of Science Beijing University of Posts and Telecommunications Collaborative Innovation Center of Quantum Matter

Spintronics involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. The fascinating spin-resolved properties of graphene motivate numerous researchers to study spintronics in graphene and other two-dimensional(2D) materials. silicene, the silicon analog of graphene, is considered to be a promising material for spintronics. Here, we present a review of theoretical advances with regard to spin-dependent properties, including the electric field- and exchange field-tunable topological properties of silicene and the corresponding spintronic device simulations.

关键词： silicene spintronics spin-filter spin field effect transistor topological property

silicene on substrates:A theoretical perspective

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Chinese Physics B 2015年第8期24卷 87-98页

作者：钟红霞屈贺如歌王洋洋史俊杰吕劲 State Key Laboratory for Mesoscopic Physics and School of Physics Peking University Department of Physics Washington University in St. Louis Academy for Advanced Interdisciplinary Studies Peking University State Key Laboratory of Information Photonics and Optical Communications Beijing University of Posts and Telecommunications School of Science Beijing University of Posts and Telecommunications Department of Nuclear Science and Engineering and Department of Materials Science and Engineering Massachusetts Institute of Technology Collaborative Innovation Center of Quantum Matter

silicene, as the silicon analog of graphene, is successfully fabricated by epitaxially growing it on various *** free-standing graphene, free-standing silicene possesses a honeycomb structure and Dirac-cone-shaped energy band,resulting in many fascinating properties such as high carrier mobility, quantum spin Hall effect, quantum anomalous Hall effect, and quantum valley Hall effect. The existence of the honeycomb crystal structure and the Dirac cone of silicene is crucial for observation of its intrinsic properties. In this review, we systematically discuss the substrate effects on the atomic structure and electronic properties of silicene from a theoretical point of view, especially with emphasis on the changes of the Dirac cone.

关键词： silicene dirac cone substrate effects

silicene:from monolayer to multilayer——A concise review

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Chinese Physics B 2015年第8期24卷 5-14页

作者：李晖付会霞孟胜 Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences

silicene, a newly isolated silicon allotrope with a two-dimensional(2D) honeycomb lattice structure, is predicted to have electronic properties similar to those of graphene, including the existence of signature Dirac fermions. Furthermore,the strong spin–orbit interaction of Si atoms potentially makes silicene an experimentally accessible 2D topological insulator. Since 2012, silicene films have been experimentally synthesized on Ag(111) and other substrates, motivating a burst of research on silicene. We and collaborators have employed STM investigations and first principles calculations to intensively study the structure and electronic properties of silicene films on Ag(111), including monolayer, bilayer, and multilayer silicenes, as well as hydrogenation of silicene.

关键词： silicene STM STS first principles calculation

silicene on non-metallic substrates： Recent theoretical and experimental advances

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Nano Research 2018年第3期11卷 1169-1182页

作者： Emilio Scalise Kostantina Iordanidou Valeri V. Afanas'ev Andre Stesmans Michel Houssa Max-Planck-lnstitut fur Eisenforschung Max-Planck Straβe 1 D-40237 Dusseldorf Germany Department of Physics and Astronomy University of Leuven Celestijnenlaan 200D B-3001 Leuven Belgium

silicene, the silicon counterpart of graphene, has been successfully grown on metallic substrates such as Ag（111）, ZrB2（0001）, and Ir（111） surfaces. However, characterization of its electronic structure is hampered by the metallic substrate. In addition, potential applications of silicene in nanoelectronic devices will require its growth on or integration with semiconducting and insulating substrates. We herein present a review of recent theoretical works regarding the interaction of silicene with non-metallic templates, distinguishing between the weak van-der-Waals-like interactions of silicene with, for example, layered metal （di）chalcogenides, and the stronger covalent bonding between silicene and, for example, ZnS surfaces. We then present a methodology to effectively compare the stability of diverse silicene structures using thermodynamics and molecular dynamics density functional theory calculations. Recent experimental results on the growth of silicene on MoS2 are also reported and compared to the theoretical predictions.

关键词： silicene non-metallic substrates chalcogenide MoS2 layered compounds

Fabrication and properties of silicene and silicene–graphene layered structures on Ir(111)

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Chinese Physics B 2015年第8期24卷 25-34页

作者：孟蕾王业亮张理智杜世萱高鸿钧 College of Science Minzu University of China Institute of Physics Chinese Academy of Sciences

silicene, a two-dimensional(2D) honeycomb structure similar to graphene, has been successfully fabricated on various substrates. This work will mainly review the syntheses and the corresponding prope√rties o√f silicene and√ silice√ne–graphene layered structures on Ir(111) substrates. For silicene on Ir(111), the buckled(3 ×3) silicene/(7 ×7)Ir(111) configuration and its electronic structure are fully discussed. For silicene–graphene layered structures, silicene layer can be constructed underneath graphene layer by an intercalation method. These results indicate the possibility of integrating silicene with graphene and may link up with potential applications in nanoelectronics and related areas.

关键词： silicene graphene epitaxial growth scanning tunneling microscopy

Electronic structure of silicene

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Chinese Physics B 2015年第8期24卷 99-105页

作者：刘祿昌 School of Science and Mathematics The Citadel CharlestonSC USA

In this topical review, we discuss the electronic structure of free-standing silicene by comparing results obtained using different theoretical methods. silicene is a single atomic layer of silicon similar to graphene. The interest in silicene is the same as for graphene, in being two-dimensional and possessing a Dirac cone. One advantage of silicene is due to its compatibility with current silicon electronics. Both empirical and first-principles techniques have been used to study the electronic properties of silicene. We will provide a brief overview of the parameter space for first-principles ***, since the theory is standard, no extensive discussion will be included. Instead, we will emphasize what empirical methods can provide to such investigations and the current state of these theories. Finally, we will review the properties computed using both types of theories for free-standing silicene, with emphasis on areas where we have *** to graphene is provided throughout.

关键词： silicene two-dimensional(2D) materials electronic structure k·p theory

silicene nanoribbons on transition metal dichalcogenide substrates： Effects on electronic structure and ballistic transport

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Nano Research 2016年第11期9卷 3394-3406页

作者： Bas van den Broek Michel Houssa Augustin Lu Geoffrey Pourtois Valery Afanas'ev Andre Stesmans Semiconductor Physics Laboratory Department of Physics and Astronomy University of Leuven Celestijnenlaan 200 D B-3001 Leuven Belgium imec 75 Kapeldreef B-3001 Leuven Belgium Department of Chemistry Plasmant Research Group University of Antwerp B-2610 Wilrijk-Antwerp Belgium

The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide （TMD） bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green＇s functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.

关键词： silicene transition metal dichalcogenides van der Waals heterostructure electronic structure ballistic transport

Chemical modification of silicene

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Chinese Physics B 2015年第8期24卷 35-55页

作者：王蓉徐明生皮孝东 Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of EducationTaiyuan University of Technology Department of Polymer Science and Engineering Zhejiang University State Key Laboratory of Silicon Materials and School of Materials Science and Engineering Zhejiang University

silicene is a two-dimensional(2D) material, which is composed of a single layer of silicon atoms with sp2–sp3mixed hybridization. The sp2–sp3mixed hybridization renders silicene excellent reactive ability, facilitating the chemical modification of silicene. It has been demonstrated that chemical modification effectively enables the tuning of the properties of silicene. We now review all kinds of chemical modification methods for silicene, including hydrogenation, halogenation,organic surface modification, oxidation, doping and formation of 2D hybrids. The effects of these chemical modification methods on the geometrical, electronic, optical, and magnetic properties of silicene are discussed. The potential applications of chemically modified silicene in a variety of fields such as electronics, optoelectronics, and magnetoelectronics are introduced. We finally envision future work on the chemical modification of silicene for further advancing the development of silicene.

关键词： silicene chemical modification electronic properties optical properties magnetic properties

Vibrational properties of silicene and germanene

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Nano Research 2013年第1期6卷 19-28页

作者： Emilio Scalise Michel Houssa Geoffrey Pourtois B. van den Broek Valery Afanas'ev andAndr Stesmans Semiconductor Physics Laboratory Department of Physics and Astronomy University of Leuven Celestijnenlaan 200 D B-3001 Leuven Belgium IMEC 75 Kapeldreef B-3001 Leuven Belgium Department of Chemistry PLASMANTresearch group University of Antwerp Universiteitsplein 1 B-2610 Wilrijk-Antwerp Belgium

The structural and vibrational properties of two-dimensional hexagonal silicon （silicene） and germanium （germanene） are investigated by means of first-principles calculations. It is predicted that the silicene （germanene） structure with a small buckling of 0.44 ,~ （0.7/k） and bond lengths of 2.28 ,~ （2.44 .~） is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene are characterized by a main peak at about 575 cm-1, namely the G-like peak. For germanene, the highest peak is at about 290 cm-1. Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm-1 for silicene and 270 cm-1 for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.

关键词： silicene germanene vibrational properties Raman spectra 2D nanolattice first-principles calculation