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Nano Research 2021, 14(10): 3629-3635 https://doi.org/10.1007/s12274-021-3716-1
Research Article | Issue | Published: 09 July 2021

Block-layer model for intergrowth structures

Show Author's Information Zhicheng Wang1,†,  Siqi Wu1,  Liangwen Ji1,  Guanghan Cao1,2( )
Department of Physics,Zhejiang Province Key Laboratory of Quantum Technology and Devices, Interdisciplinary Center for Quantum Information, and State Key Lab of Silicon Materials, Zhejiang University,Hangzhou,310027,China;
Collaborative Innovation Centre of Advanced Microstructures,Nanjing University, Nanjing,,210093,China;

†Present address: Department of Physics, Boston College, Chestnut Hill, MA 02467, USA

Keywords:
structural design, iron-based superconductors, intergrowth structures, lattice match, interlayer charge transfer
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Cite this article:
Wang Z, Wu S, Ji L, et al. Block-layer model for intergrowth structures. Nano Research, 2021, 14(10): 3629-3635. https://doi.org/10.1007/s12274-021-3716-1
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Abstract Full text Electronic supplementary material About this article

Lattice match and charge transfer between distinct block layers (BLs) play an important role in the formation of an intergrowth structure. Herein we propose a simple BL model addressing the different roles of the lattice match and the charge transfer. Inter-BL charge transfer lowers the internal energy, while lattice match minimizes the elastic energy, both of which together make the intergrowth structure stabilized. The model is able to reproduce the lattice parameters precisely for complex iron-based superconductors with intergrowth structures. The elastic energy and the charge-transfer energy are evaluated with assistance of the first-principles calculations. This work rationalizes the basic principles of BL design for intergrowth structures, which can be utilized not only for finding new superconducting materials but also for investigating other layered materials with various functionalities.


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About this article

Block-layer model for intergrowth structures

Show Author's information Zhicheng Wang1,†, Siqi Wu1, Liangwen Ji1, Guanghan Cao1,2( )
Department of Physics,Zhejiang Province Key Laboratory of Quantum Technology and Devices, Interdisciplinary Center for Quantum Information, and State Key Lab of Silicon Materials, Zhejiang University,Hangzhou,310027,China;
Collaborative Innovation Centre of Advanced Microstructures,Nanjing University, Nanjing,,210093,China;

†Present address: Department of Physics, Boston College, Chestnut Hill, MA 02467, USA

Abstract

Lattice match and charge transfer between distinct block layers (BLs) play an important role in the formation of an intergrowth structure. Herein we propose a simple BL model addressing the different roles of the lattice match and the charge transfer. Inter-BL charge transfer lowers the internal energy, while lattice match minimizes the elastic energy, both of which together make the intergrowth structure stabilized. The model is able to reproduce the lattice parameters precisely for complex iron-based superconductors with intergrowth structures. The elastic energy and the charge-transfer energy are evaluated with assistance of the first-principles calculations. This work rationalizes the basic principles of BL design for intergrowth structures, which can be utilized not only for finding new superconducting materials but also for investigating other layered materials with various functionalities.

Keywords: structural design, iron-based superconductors, intergrowth structures, lattice match, interlayer charge transfer

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Publication history
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Acknowledgements

Publication history

Received: 26 March 2021
Revised: 17 June 2021
Accepted: 24 June 2021
Published: 09 July 2021
Issue date: October 2021

Copyright

© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021

Acknowledgements

Acknowledgements

This work is supported by the National Key Research and Development Program of China (No. 2017YFA0303002), the National Natural Science Foundation of China (No. 12050003), and the Fundamental Research Funds for the Central Universities of China.

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