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Syntheses and Properties of Some Bi-Containing Compounds with Noncentrosymmetric Structure

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Bismuth-Containing Compounds

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 186))

Abstract

A genetic engineering method is employed to design the second harmonic generation (SHG) materials with infrared transparency. The compounds of Ba2BiInA5 (A = S, Se, Te) are constructed in views of “genome” BiA5 pyramid and InA4 tetrahedron. Then, the crystal structures of these compounds are predicted or reproduced to show their non-centrosymmetry based on global optimization evolutionary methodology. Thirdly, the ab initio computations of band structures and simulations of optical properties are carried, and the nonlinear optical figure of merit in views of optical transparent range and the SHG parameters are surveyed for these crystals. Finally, we provide the substance evidences by the experimental synthesis, crystal structural determinations, and optical measurements for Ba2BiInA5 (A = S, Se) compounds.

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Abbreviations

AHO:

Anharmonic oscillator

BFO:

BiFeO3

BiBO:

BiB3O6

BSCCO:

Bi2Sr2Ca n−1CunO2n+4+x

CSD:

Cambridge Structural Database

DFT:

Density Functional Theory

DOS:

Density of state

FBB:

Fundamental building block

FOM:

Figure of merit

GW0 :

Green’s function

LCB:

Lowest conduction band

MVB:

Maximum of the valance band

NCS:

Noncentrosymmetric

OPO:

Optical parametric oscillator

PED:

Partial electron density

SHG:

Second harmonic generation

USPEX:

Universal Structure Prediction: Evolutionary Xtallography

VASP:

Vienna Ab-initio Simulation Package

References

  1. Hammond, C.R.: The Elements, in Handbook of Chemistry and Physics, 81st edn, pp. 4–1. CRC press, Boca Raton (2004). ISBN 0-8493-0485-7

    Google Scholar 

  2. USA 1540117, Gustav Giemsa: Manufacture of Bismuth Tartrates

    Google Scholar 

  3. Parnell, R.T.G., Surgeon-Commander, Royal Navy: Bismuth in the treatment of syphillis. J. R. Soc. Med. 17(War sect), 19–26 (1924). PMC2201253

    Google Scholar 

  4. Maile, F.J., Pfaff, G., Reynders, P.: Effect pigments—past, present and future. Prog. Org. Coat. 54, 150–163 (2005)

    Article  CAS  Google Scholar 

  5. Pfaff, G.: Special Effect Pigments: Technical Basics and Applications. Vincentz Network GmbH, Hannover (2008)

    Google Scholar 

  6. Tücks, A., Beck, H.P.: The photochromic effect of bismuth vanadate pigments: investigations on the photochromic mechanism. Dyes. Pigm. 72, 163–177 (2007)

    Article  Google Scholar 

  7. Müller, A.: Yellow Pigments, Coloring of Plastics: Fundamentals, Colorants, Preparations, pp. 91–93. Hanser, Munich (2003)

    Book  Google Scholar 

  8. Maeda, H., Tanaka, Y., Fukutumi, M., Asano, T.: A new high-Tc oxide superconductor without a rare earth element. Jpn. J. Appl. Phys. 27, L209–L210 (1998)

    Article  Google Scholar 

  9. Subramanian, M.A., et al.: A new high-temperature superconductor: Bi2Sr3-xCaxCu2O8+y. Science 239, 1015–1017 (1998)

    Article  Google Scholar 

  10. Satterthwaite, C.B., Ure, R.: Electrical and thermal properties of Bi2Te3. Phys. Rev. 108, 1164–1170 (1957)

    Article  CAS  Google Scholar 

  11. Venkatasubramanian, R.: Recent Device Developments with Advanced Bulk Thermoelectric Materials. 3rd DOE Thermoelectric Application Workshop, Mar 2012

    Google Scholar 

  12. Catalan, G., Scott, J.F.: Physics and applications of bismuth ferrite. Adv. Mater. 21, 2463–2485 (2009)

    Article  CAS  Google Scholar 

  13. Choi, T., Lee, S., Choi, Y.J., Kiryukhin, V., Cheong, S.-W.: Switchable ferroelectric diode and photovoltaic effect in BiFeO3. Science 324, 63–66 (2009)

    Article  CAS  Google Scholar 

  14. Spaldin, N.A., Cheong, S.-W., Ramesh, R.: Multiferroics: past, present, and future. Phys. Today. 63, 38 (2010)

    Article  Google Scholar 

  15. Lebeugle, D., Colson, D., Forget, A., Viret, M., Bonville, P., Marucco, J.F., Fusil, S.: Room-temperature coexistence of large electric polarization and magnetic order in BiFeO3 single crystals. Phys. Rev. B. 76, 024116–024118 (2007)

    Article  Google Scholar 

  16. Son, J.Y., Kim, B.G., Kim, C.H., Cho, J.H.: Writing polarization bits on the multiferroic BiMnO3 thin film using kelvin probe force microscope. Appl. Phys. Lett. 84, 4971–4973 (2004)

    Article  CAS  Google Scholar 

  17. Cheong, S.-W., Mostovoy, M.: Multiferroics: a magnetic twist for ferroelectricity. Nat. Mater. 6, 13–20 (2007)

    Article  CAS  Google Scholar 

  18. Fröhlich, R., Bohatý, L., Liebertz, J.: Die Kristallstruktur von Wismutborat, BiB3O6. Acta. Crystallogr. C. 40, 343–344 (1984)

    Article  Google Scholar 

  19. Hellwig, H., Liebertz, J., Bohaty, L.: Exceptional large nonlinear optical coefficients in the monoclinic bismuth borate BiB3O6 (BIBO). Solid. State. Commun. 109, 249–251 (1998)

    Article  Google Scholar 

  20. www.crylight.com/nlo_crystals/BIBO-Crystal_7.html

  21. Zhang, W.-L., Cheng, W.-D., Zhang, H., Geng, L., Lin, C.-S., He, Z.-Z.: A strong second-harmonic generation material Cd4BiO(BO3)3 originating from 3-chromophore asymmetric structures. J. Am. Chem. Soc. 132, 1508–1509 (2010)

    Article  CAS  Google Scholar 

  22. Setter, N., et al.: Ferroelectric thin films: review of materials, properties, and applications. J. Appl. Phys. 100, 051606–051646 (2006)

    Article  Google Scholar 

  23. Halasyamani, P.S., Poeppelmeier, K.R.: Noncentrosymmetric oxides. Chem. Mater. 10, 2753–2769 (1998)

    Article  CAS  Google Scholar 

  24. Glazer, A.M., Stadnicka, K.: On the use of the term ‘absolute’ in crystallography. Acta. Crystallogr. A45, 234–238 (1989)

    CAS  Google Scholar 

  25. Hahn, T.: International Tables for Crystallography. D. Reidel, Dordrecht (1983)

    Google Scholar 

  26. Carriles, R., et al.: Imaging techniques for harmonic and multiphoton absorption fluorescence microscopy. Rev. Sci. Instrum. 80, 081101–081123 (2009)

    Article  Google Scholar 

  27. Campagnola, P.J., Clark, H.A., Mohler, W.A., Lewis, A., Loew, L.M.: Second-harmonic imaging microscopy of living cell. J. Biomed. Opt. 6, 277–286 (2001)

    Article  CAS  Google Scholar 

  28. Agullo-Lopez, F., Cabrera, J.M., Agullo-Rueda, F.: Electrooptics: Phenomena, Materials and Applications. Academic, New York (1994)

    Google Scholar 

  29. http://materialsinnovation.tms.org/genome.aspx

  30. Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (fax: (t49)7247_808_666; e-mail: crysdata@fiz-karlsruhe.de)

    Google Scholar 

  31. Geng, L., Cheng, W.-D., Lin, C.-S., Zhang, W.-L., Zhang, H., He, Z.-Z.: Syntheses and characterization of new mid-infrared transparency compounds: centric Ba2BiGaS5 and acentric Ba2BiInS5. Inorg. Chem. 50, 5679–5686 (2011)

    Article  CAS  Google Scholar 

  32. Lin, C.-L., Luo, Z.-Z., Cheng, W.-D., Zhang, H., Zhang, W.-L.: Designs of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te). J. Mater. Chem. 22, 21713–21719 (2012)

    Article  CAS  Google Scholar 

  33. Kresse, G., Furthmüller, J.: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996)

    Article  CAS  Google Scholar 

  34. Oganov, A.R., Glass, C.W.: Crystal structure prediction using ab initio evolutionary techniques: principles and applications. J. Chem. Phys. 124, 244704–244715 (2006)

    Article  Google Scholar 

  35. Oganov, A.R., Lyakhov, A.O., Valle, M.: How evolutionary crystal structure prediction works—and why. Acc. Chem. Res. 44, 227–237 (2011)

    Article  CAS  Google Scholar 

  36. Shishkin, M., Kresse, G.: Implementation and performance of the frequency-dependent GW method within the PAW framework. Phys. Rev. B 74, 035101–035113 (2006)

    Article  Google Scholar 

  37. Segal, M.D., Lindan, P.J.D., Probert, M.J., Pickard, J., Hasnip, P.J., Clark, S.J.: First-principles simulation: ideas, illustrations and the CASTEP code. J. Phys. Condens. Matter. 14, 2717–2744 (2002)

    Article  Google Scholar 

  38. Boyd, R.W.: Nonlinear Optics, pp. 21–32. Academic, New York (1992)

    Google Scholar 

  39. Nie, W.: Optical nonlinearity: phenomena, applications, and materials. Adv. Mater. 5, 520–545 (1993)

    Article  CAS  Google Scholar 

  40. Sheldrick, G.M.: SHELXL-97. University of Göttingen, Göttingen (1997)

    Google Scholar 

  41. Spek, A.L.: Single-crystal structure validation with the program PLATON. J. Appl. Crystallogr. 36, 7–13 (2003)

    Article  CAS  Google Scholar 

  42. Wendlandt, W.W., Hecht, H.G.: Reflectance Spectroscopy. Interscience, New York (1966)

    Google Scholar 

  43. Kurtz, S.K., Perry, T.T.: A powder technique for the evaluation of nonlinear optical materials. J. Appl. Phys. 39, 3798–3813 (1968)

    Article  CAS  Google Scholar 

Download references

Acknowledgments

This investigation was based on work supported by the National Natural Science Foundation of China under project 20773131 and 21101156, the National Basic Research Program of China (No. 2007CB815307), and foundation of Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry.

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Authors and Affiliations

  1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China

    Wen-Dan Cheng, Chen-Sheng Lin, Zhong-Zhen Luo, Wei-Long Zhang & Hao Zhang

  2. School of Physics and Electronic Information, Huaibei Normal University, Huaibei, Anhui, 235000, China

    Lei Geng

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  1. Wen-Dan Cheng
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  2. Chen-Sheng Lin
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  3. Lei Geng
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  4. Zhong-Zhen Luo
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  6. Hao Zhang
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Correspondence to Wen-Dan Cheng .

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Editors and Affiliations

  1. State Key Laboratory of Electronic Thin, University of Electronic Science and Technology of China, Chengdu, People's Republic of China

    Handong Li

  2. State Key Laboratory of Electronic, University of Electronic Science and Technology, Chengdu, People's Republic of China

    Zhiming M. Wang

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Cheng, WD., Lin, CS., Geng, L., Luo, ZZ., Zhang, WL., Zhang, H. (2013). Syntheses and Properties of Some Bi-Containing Compounds with Noncentrosymmetric Structure. In: Li, H., Wang, Z. (eds) Bismuth-Containing Compounds. Springer Series in Materials Science, vol 186. Springer, New York, NY. https://doi.org/10.1007/978-1-4614-8121-8_14

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