AI Chat Paper
Note: Please note that the following content is generated by AMiner AI. SciOpen does not take any responsibility related to this content.
{{lang === 'zh_CN' ? '文章概述' : 'Summary'}}
{{lang === 'en_US' ? '中' : 'Eng'}}
Chat more with AI
Powered by AMiner. Clicking this button will take you away from SciOpen.
Home Nano Research Article
Article Link
Cite
EndNote(RIS) BibTeX
Collect
Submit Manuscript
Show Outline
Outline
Show full outline
Hide outline
Outline
Show full outline
Hide outline
Research Article

Block-layer model for intergrowth structures

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

Show Author Information

Graphical Abstract

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 designintergrowth structureslattice matchinterlayer charge transferiron-based superconductors

Electronic Supplementary Material

Download File(s)
12274_2021_3716_MOESM1_ESM.pdf (915.2 KB)

References

1

Bednorz, J. G.; Müller, K. A. Possible high Tc superconductivity in the Ba-La-Cu-O system. Z. Phys. B: Condens. Matter 1986, 64, 189-193.
Crossref Google Scholar
2

Wu, M. K.; Ashburn, J. R.; Torng, C. J.; Hor, P. H.; Meng, R. L.; Gao, L.; Huang, Z. J.; Wang, Y. Q.; Chu, C. W. Superconductivity at 93 K in a new mixed-phase Y-Ba-Cu-O compound system at ambient pressure. Phys. Rev. Lett. 1987, 58, 908-910.
Crossref Google Scholar
3

Kamihara, Y.; Watanabe, T.; Hirano, M.; Hosono, H. Iron-based layered superconductor La[O1-xFx]FeAs (x = 0.05-0.12) with Tc = 26 K. J. Am. Chem. Soc. 2008, 130, 3296-3297.
Crossref Google Scholar
4

Chen, X. H.; Wu, T.; Wu, G.; Liu, R. H.; Chen, H.; Fang, D. F. Superconductivity at 43 K in SmFeAsO1-xFx. Nature 2008, 453, 761-762.
Crossref Google Scholar
5

Jiang, H.; Sun, Y. L.; Xu, Z. A.; Cao, G. H. Crystal chemistry and structural design of iron-based superconductors. Chin. Phys. B 2013, 22, 087410.
Crossref Google Scholar
6

Wang, Z. C.; Cao, G. H. Self-doped iron-based superconductors with intergrowth structures. Acta Phys. Sin. 2018, 67, 207406.
Crossref Google Scholar
7

Tokura, Y.; Arima, T. New classification method for layered copper oxide compounds and its application to design of new high Tc superconductors. Jpn. J. Appl. Phys. 1990, 29, 2388.
Crossref Google Scholar
8

Li, R. K.; Zhu, Y. J.; Qian, Y. T.; Chen Z. Y. The preparation and structure of a new layered cuprate: TaSr2(NdCe)2Cu2Oy, the Ta analog of the Tl-1222 phase. Physica C: Supercord. 1991, 176, 19-23.
Crossref Google Scholar
9

Li, R. K. Crystal chemistry and block architecture of high-Tc cuprate superconductors. Appl. Phys. Commun. 1992, 11, 295-316.
Google Scholar
10

Qian, Y. T.; Tang, K. B.; Yang, P. D.; Chen, Z. Y.; Li, R. K.; Zhou, G. E.; Zhang, Y. H.; Wang, N. L. The synthesis and superconductivity of a new type of Bi-1212 phase (Bi, Cd)Sr2(Y, Ca)Cu2Oz. Physica C: Supercord. 1993, 209, 516-518.
Crossref Google Scholar
11

Park, C.; Snyder, R. L. Structures of high-temperature cuprate superconductors. J. Am. Ceram. Soc. 1995, 78, 3171-3194.
Crossref Google Scholar
12

Wiegers, G. A. Misfit layer compounds: Structures and physical properties. Prog. Solid State Chem. 1996, 24, 1-139.
Crossref Google Scholar
13

Meerschaut, A. Misfit layer compounds. Curr. Opin. Solid State Mater. Sci. 1996, 1, 250-259.
Crossref Google Scholar
14

Sun, Y. L.; Jiang, H.; Zhai, H. F.; Bao, J. K.; Jiao, W. H.; Tao, Q.; Shen, C. Y.; Zeng, Y. W.; Xu, Z. A.; Cao, G. H. Ba2Ti2Fe2As4O: A new superconductor containing Fe2As2 layers and Ti2O sheets. J. Am. Chem. Soc. 2012, 134, 12893-12896.
Crossref Google Scholar
15

Zhai, H. F.; Zhang, P.; Wu, S. Q.; He, C. Y.; Tang, Z. T.; Jiang, H.; Sun, Y. L.; Bao, J. K.; Nowik, I.; Felner, I. et al. Anomalous Eu valence state and superconductivity in undoped Eu3Bi2S4F4. J. Am. Chem. Soc. 2014, 136, 15386-15393.
Crossref Google Scholar
16

Liu, Y.; Liu, Y. B.; Chen, Q.; Tang, Z. T.; Jiao, W. H.; Tao, Q.; Xu, Z. A.; Cao, G. H. A new ferromagnetic superconductor: CsEuFe4As4. Sci. Bull. 2016, 61, 1213-1220.
Crossref Google Scholar
17

Liu, Y.; Liu, Y. B.; Tang, Z. T.; Jiang, H.; Wang, Z. C.; Ablimit, A.; Jiao, W. H.; Tao, Q.; Feng, C. M.; Xu, Z. A. et al. Superconductivity and ferromagnetism in hole-doped RbEuFe4As4. Phys. Rev. B 2016, 93, 214503.
Crossref Google Scholar
18

Wang, Z. C.; He, C. Y.; Wu, S. Q.; Tang, Z. T.; Liu, Y.; Ablimit, A.; Feng, C. M.; Cao, G. H. Superconductivity in KCa2Fe4As4F2 with separate double Fe2As2 layers. J. Am. Chem. Soc. 2016, 138, 7856-7859.
Crossref Google Scholar
19

Shao, Y. T.; Wang, Z. C.; Li, B. Z.; Wu, S. Q.; Wu, J. F.; Ren, Z.; Qiu, S. W.; Rao, C.; Wang, C.; Cao, G. H. BaTh2Fe4As4(N0.7O0.3)2: An iron-based superconductor stabilized by inter-block-layer charge transfer. Sci. China Mater. 2019, 62, 1357-1362.
Crossref Google Scholar
20

Wang, Z. C.; He, C. Y.; Wu, S. Q.; Tang, Z. T.; Liu. Y.; Cao, G. H. Synthesis, crystal structure and superconductivity in RbLn2Fe4As4O2 (Ln = Sm, Tb, Dy, and Ho). Chem. Mater. 2017, 29, 1805-1812.
Crossref Google Scholar
21

Wu, S. Q.; Wang, Z. C.; He, C. Y.; Tang, Z. T.; Liu, Y.; Cao, G. H. Superconductivity at 33-37 K in ALn2Fe4As4O2 (A = K and Cs; Ln = lanthanides). Phys. Rev. Mater. 2017, 1, 044804.
Crossref Google Scholar
22

Rotter, M.; Tegel, M.; Johrendt, D. Superconductivity at 38 K in the Iron Arsenide (Ba1-xKx)Fe2As2. Phys. Rev. Lett. 2008, 101, 107006.
Crossref Google Scholar
23

Goldschmidt, V. M. Die gesetze der krystallochemie. Naturwissenschaften 1926, 14, 477-485.
Crossref Google Scholar
24

Katrych, S.; Rogacki, K.; Pisoni, A.; Bosma, S.; Weyeneth, S.; Gaal, R.; Zhigadlo, N. D.; Karpinski, J.; Forró, L. Pr4Fe2As2Te1-xO4: A layered FeAs-based superconductor. Phys. Rev. B 2013, 87, 180508(R).
Crossref Google Scholar
25

Lu, X. F.; Wang, N. Z.; Wu, H.; Wu, Y. P.; Zhao, D.; Zeng, X. Z.; Luo, X. G.; Wu, T.; Bao, W.; Zhang, G. H. et al. Coexistence of superconductivity and antiferromagnetism in (Li0.8Fe0.2)OHFeSe. Nat. Mater. 2015, 14, 325-329.
Crossref Google Scholar
26

Gibson, Q. D.; Dyer, M. S.; Whitehead, G. F. S.; Alaria, J.; Pitcher, M. J.; Edwards, H. J.; Claridge, J. B.; Zanella, M.; Dawson, K.; Manning, T. D. et al. Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se stabilized by the addition of a third anion. J. Am. Chem. Soc. 2017, 139, 15568-15571.
Crossref Google Scholar
27

Eul, M.; Johrendt, D.; Pöttgen, R. An extension of pnictide oxide chemistry—Salt flux synthesis and structure of La5Cu4As4O4Cl2. Z. Naturforsch. B 2009, 64, 1353-1359.
Crossref Google Scholar
28

Bartsch, T.; Benndorf, C.; Eckert, H.; Eul, M.; Pöttgen, R. La3Cu4P4O2 and La5Cu4P4O4Cl2: Synthesis, structure and 31P solid state NMR spectroscopy. Z. Naturforsch. B 2016, 71, 149-155.
Crossref Google Scholar
29

Wiegers, G. A. Charge transfer between layers in misfit layer compounds. J. Alloys Compd. 1995, 219, 152-156.
Crossref Google Scholar
30

Yao, Q.; Shen, D. W.; Wen, C. H. P.; Hua, C. Q.; Zhang, L. Q.; Wang, N. Z.; Niu, X. H.; Chen, Q. Y.; Dudin, P.; Lu, Y. H. et al. Charge transfer effects in naturally occurring van der Waals heterostructures (PbSe)1.16(TiSe2)m (m = 1, 2). Phys. Rev. Lett. 2018, 120, 106401.
Crossref Google Scholar
31

Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 1996, 54, 11169-11186.
Crossref Google Scholar
32

Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 1994, 50, 17953-17979.
Crossref Google Scholar
33

Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
Crossref Google Scholar
Nano Research
Volume 14 Issue 10,
October 2021
Pages 3629-3635
DOI: 10.1007/s12274-021-3716-1
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
Topics:
Free energy

757

Views

10

Crossref

11

Web of Science

8

Scopus

1

CSCD

Altmetrics
Received: 26 March 2021
Revised: 17 June 2021
Accepted: 24 June 2021
Published: 09 July 2021
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021
Return