Theory and Simulation in Physics for Materials Applications Cutting-

This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science. Today, an increasing number of industrial communities rely more

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Elena V. Levchenko Yannick J. Dappe Guido Ori   Editors

Theory and Simulation in Physics for Materials Applications Cutting-Edge Techniques in Theoretical and Computational Materials Science

Springer Series in Materials Science Volume 296

Series Editors Robert Hull, Center for Materials, Devices, and Integrated Systems, Rensselaer Polytechnic Institute, Troy, NY, USA Chennupati Jagadish, Research School of Physical, Australian National University, Canberra, ACT, Australia Yoshiyuki Kawazoe, Center for Computational Materials, Tohoku University, Sendai, Japan Jamie Kruzic, School of Mechanical & Manufacturing Engineering, UNSW Sydney, Sydney, NSW, Australia Richard M. Osgood, Department of Electrical Engineering, Columbia University, New York, USA Jürgen Parisi, Universität Oldenburg, Oldenburg, Germany Udo W. Pohl, Institute of Solid State Physics, Technical University of Berlin, Berlin, Germany Tae-Yeon Seong, Department of Materials Science & Engineering, Korea University, Seoul, Korea (Republic of) Shin-ichi Uchida, Electronics and Manufacturing, National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki, Japan Zhiming M. Wang, Institute of Fundamental and Frontier Sciences - Electronic, University of Electronic Science and Technology of China, Chengdu, China

The Springer Series in Materials Science covers the complete spectrum of materials research and technology, including fundamental principles, physical properties, materials theory and design. Recognizing the increasing importance of materials science in future device technologies, the book titles in this series reflect the state-of-the-art in understanding and controlling the structure and properties of all important classes of materials.

More information about this series at http://www.springer.com/series/856

Elena V. Levchenko Yannick J. Dappe Guido Ori •



Editors

Theory and Simulation in Physics for Materials Applications Cutting-Edge Techniques in Theoretical and Computational Materials Science

123

Editors Elena V. Levchenko CARMA, School of Mathematical and Physical Sciences The University of Newcastle Callaghan, NSW, Australia

Yannick J. Dappe SPEC, CEA, CNRS Universite Paris-Saclay Gif-sur-Yvette, France

Guido Ori IPCMS, CNRS University of Strasbourg Strasbourg, France

ISSN 0933-033X ISSN 2196-2812 (electronic) Springer Series in Materials Science ISBN 978-3-030-37789-2 ISBN 978-3-030-37790-8 (eBook) https://doi.org/10.1007/978-3-030-37790-8 © Springer Nature Switzerland AG 2020 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service ma