Lecture Notes in Physics 930 Seymur Cahangirov Hasan Sahin Guy Le Lay Angel Rubio Introduction to the Physics of Silicene and other 2D Materials Lecture Notes in Physics Volume 930 Founding Editors W. Beiglböck J. Ehlers K. Hepp H. Weidenmöller Editorial Board M. Bartelmann, Heidelberg, Germany B.-G. Englert, Singapore, Singapore P. Hanggi,R Augsburg, Germany M. Hjorth-Jensen, Oslo, Norway R.A.L. Jones, Sheffield, UK M. Lewenstein, Barcelona, Spain H. von Lohneysen,R Karlsruhe, Germany J.-M. Raimond, Paris, France A. Rubio, Hamburg, Germany M. Salmhofer, Heidelberg, Germany W. Schleich, Ulm, Germany S. Theisen, Potsdam, Germany D. Vollhardt, Augsburg, Germany J.D. Wells, Ann Arbor, USA G.P. 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Proposals should be sent to a member of the Editorial Board, or directly to the managing editor at Springer: Christian Caron Springer Heidelberg Physics Editorial Department I Tiergartenstrasse 17 69121 Heidelberg/Germany [email protected] More information about this series at http://www.springer.com/series/5304 [email protected] Seymur Cahangirov • Hasan Sahin • Guy Le Lay • Angel Rubio Introduction to the Physics of Silicene and other 2D Materials 123 [email protected] Seymur Cahangirov Hasan Sahin University of the Basque Country Department of Photonics Materials Unit Joint Center Izmir Institute of Technology Donostia, Spain Izmir, Turkey Guy Le Lay Angel Rubio Aix Marseille Université CNRS Basque Country Marseille Cedex, France Materials Unit Joint Center Donostia, Spain ISSN 0075-8450 ISSN 1616-6361 (electronic) Lecture Notes in Physics ISBN 978-3-319-46570-8 ISBN 978-3-319-46572-2 (eBook) DOI 10.1007/978-3-319-46572-2 Library of Congress Control Number: 2016957791 © Springer International Publishing AG 2017 This work is subject to copyright. 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Neither the publisher nor the authors or the editors give a warranty, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. Printed on acid-free paper This Springer imprint is published by Springer Nature The registered company is Springer International Publishing AG The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland [email protected] Dedicated to our families. [email protected] Acknowledgments We would like to thank our collaborators including Salim Ciraci, Francois Peeters, Paola De Padova, Patrick Vogt, Maria Carmen Asensio, Maria Davila, Wenhui Duan, Shou-Cheng Zhang, Lede Xian, Peizhe Tang, and many others. Seymur Cahangirov acknowledges financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF project No. 628876 and the Scientific and Technological Research Council of Turkey (TUBITAK) under the project number 115F388. Hasan Sahin is supported by the FWO Pegasus Long Marie Curie Fellowship. Angel Rubio acknowledges financial support from the European Research Council (ERC- 2015-AdG-694097), Spanish grant (FIS2013-46159-C3-1-P), Grupos Consolidados (IT578-13), and AFOSR Grant No. FA2386-15-1-0006 AOARD 144088, H2020- NMP-2014 project MOSTOPHOS, GA no. SEP-210187476, and COST Action MP1306 (EUSpec). vii [email protected] Contents 1 A Brief History of Silicene ................................................... 1 References ...................................................................... 8 2 Freestanding Silicene ......................................................... 13 2.1 Reconstructions of Bulk Silicon Surfaces .............................. 13 2.2 Atomic Structure and Stability of Freestanding Silicene............... 16 2.3 Electronic Structure of Freestanding Silicene .......................... 19 2.4 Hydrogenation: Silicane and Germanane ............................... 20 2.5 Oxygenation .............................................................. 25 2.6 Interaction with Halogens ............................................... 27 2.7 Functionalization of Silicene ............................................ 28 2.8 Dumbbell Structure ...................................................... 30 2.9 Nanoribbons .............................................................. 33 References ...................................................................... 36 3 Silicene on Ag Substrate ..................................................... 41 3.1 Experimental Evidence .................................................. 42 3.2 Growth Mechanism ...................................................... 45 3.3 The Nature of the Linear Bands ......................................... 47 References ...................................................................... 50 4 Multilayer Silicene ............................................................ 53 4.1 Experimental Evidence .................................................. 53 4.2 Atomic Structure ......................................................... 54 4.3 Silicites ................................................................... 55 References ...................................................................... 61 5 Germanene, Stanene and Other 2D Materials............................. 63 5.1 Binary Compounds of Group IV and Group III–V Elements .......... 68 5.2 Borophene and Phosphorene ............................................ 72 5.3 Transition Metal Dichalcogenides....................................... 74 5.4 Chalcogenides of Sn ..................................................... 78 ix [email protected] x Contents 5.5 Portlandite and Brucite .................................................. 80 5.6 Concluding Remarks..................................................... 82 References ...................................................................... 83 6 Strain Engineering of 2D Materials......................................... 87 6.1 MoS2 ...................................................................... 87 6.2 MoSe2 .................................................................... 88 6.3 WSe2 ...................................................................... 90 6.4 ReSe2 ..................................................................... 91 6.5 Black Phosphorus ........................................................ 94 References ...................................................................... 96 [email protected] Chapter 1 A Brief History of Silicene Research on silicene shows a fast and steady growth that has increased our tool-box of novel 2D materials with exceptional potential applications in materials science. Especially after the experimental synthesis of silicene on substrates in 2012 has attracted substantial interest from both theoretical and experimental community. Every day, new people from various disciplines join this rapidly growing field. The aim of this book is to serve as a fast entry to the field these newcomers and as a long-living reference to the growing community. To achieve this goal, the book is designed to emphasize the most crucial developments from both theoretical and experimental points of view since the start of the silicene field with the first theoretical paper proposing the structure of silicene. We provide the general concepts and ideas such that the book is accessible to everybody from graduate students to senior researchers and we refer the reader interested in the details to the relevant literature. In the next paragraphs, we present a brief history of silicene where we highlight,