DataVXApplied Physics APaper
journal article·2024-04

Crystal structure, Hirshfeld topology analysis, enrichment ratio, energy framework and DFT computational studies of piezoelectric l-histidinium tetrafluoroborate single crystal

Nidhi Tyagi, Nidhi Sinha, Harsh Yadav, Pradeep Kumar, Binay Kumar

Applied Physics A· Volume 130· Issue 4
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OpenAlex topics: Nonlinear Optical Materials Research · Solid-state spectroscopy and crystallography · Crystallography and molecular interactions

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References (57)

Show source-provided references
1. S. Guerin, J. O’Donnell, E.U. Haq, C. McKeown, C. Silien, F.M.F. Rhen, T. Soulimane, S.A.M. Tofail, D. Thompson, Phys. Rev. Lett. 122, 047701 (2019). https://doi.org/10.1103/PhysRevLett.122.04770110.1103/PhysRevLett.122.047701 ↗
2. M. Fleck, Petrosyan AM, Springer International Publishing, Switzerland, (2014) https://doi.org/10.1007/978-3-319-06299-010.1007/978-3-319-06299-0 ↗
3. S.G. Raj, G.R. Kumar, R. Mohan, S. Pandi, R. Jayavel, Mater. Chem. Phys. 90, 144–147 (2005). https://doi.org/10.1016/j.matchemphys.2004.10.02610.1016/j.matchemphys.2004.10.026 ↗
4. N.L. John, S. Abraham, D. Sajan, R. Philip, N. Joy, R. Chitra, Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 226, 117615 (2020). https://doi.org/10.1016/j.saa.2019.11761510.1016/j.saa.2019.117615 ↗
5. M.D. Aggarwal, J. Choi, W.S. Wang, K. Bhat, R.B. Lal, A.D. Shields, B.G. Penn, D.O. Frazier, J. Cryst. Growth 204, 179–182 (1999). https://doi.org/10.1016/S0022-0248(99)00200-610.1016/S0022-0248(99)00200-6 ↗
6. J. Ramajothi, S. Dhanuskodi, Cryst. Res. Technol. 38, 986–991 (2003). https://doi.org/10.1016/S0022-0248(99)00200-610.1016/S0022-0248(99)00200-6 ↗
7. P.P. Kumar, V. Manivannan, S. Tamilselvan, S. Senthil, V.A. Raj, P. Sagayaraj, Madhavan, J. Opt. Commun. 281, 2989–2995 (2008). https://doi.org/10.1016/j.optcom.2008.01.05810.1016/j.optcom.2008.01.058 ↗
8. T. Dammak, N. Fourati, Y. Abid, H. Boughzala, A. Mlayah, C. Minot, Spectrochim. Acta Part A 66, 1097–1101 (2007). https://doi.org/10.1016/j.saa.2006.05.01810.1016/j.saa.2006.05.018 ↗
9. C.A. Gonsago, S. Pandi, H.M. Albert, A.J.A. Pragasam, Int. J. Appl Phys and Maths 2, 54–57 (2012). https://doi.org/10.7763/IJAPM.2012.V2.5310.7763/IJAPM.2012.V2.53 ↗
10. J. Ramajothi, S. Dhanuskodi, J. Cryst. Growth 289, 217–223 (2006). https://doi.org/10.1016/j.jcrysgro.2005.10.10310.1016/j.jcrysgro.2005.10.103 ↗
11. V. Kannan, R.B. Ganesh, P. Ramasamy, Cryst. Growth Des. 6, 1876–1880 (2006). https://doi.org/10.1021/cg060196010.1021/cg0601960 ↗
12. N. Tyagi, N. Sinha, H. Yadav, B. Kumar, Acta Cryst. B 72, 593–601 (2016). https://doi.org/10.1107/S205252061600762910.1107/S2052520616007629 ↗
13. N. Sinha, B.K. Sahas, K. Singh, N. Kumar, M.K. Singh, G.C. Gupta, B. Budakoti, Kumar, Cryst. Res. Technol. 44, 167–172 (2009). https://doi.org/10.1002/crat.20080019010.1002/crat.200800190 ↗
14. U. Flierler, D. Stalke, Struct. Bond. 146, 1–20 (2012)10.1007/430_2012_80 ↗
15. C. Gatti, P. Macchi, Modern Charge Density Analysis Springer (Dordrecht Heidelberg London, New York, 2012)10.1007/978-90-481-3836-4 ↗
16. H. Cong, H. Zhang, S. Sun, Y. Yu, W. Yu, H. Yu, J. Zhang, J. Wanga, R.I. Boughton, J. Appl. Cryst. 43, 308–319 (2010). https://doi.org/10.1107/S002188980905233910.1107/S0021889809052339 ↗
17. A.S.K. Seth, P.C. Mandal, T. Kar, S. Mukhopadhyay, J. Mol. Struct. 994, 109–116 (2011). https://doi.org/10.1016/j.molstruc.2011.03.00410.1016/j.molstruc.2011.03.004 ↗
18. C. Jelsch, K. Ejsmont, L. Huder, Chem. Cryst. Eng. 1, 119–128 (2014). https://doi.org/10.1107/S205225251400332710.1107/S2052252514003327 ↗
19. K.M. Ok, E.O. Chi, P.S. Halasyamani, Chem. Soc. Rev. 35, 710–717 (2006). https://doi.org/10.1039/B511119F10.1039/B511119F ↗
20. P. Dhawan, P. Kumar, A. Saini, R. Jha, K. Grover, S. Goel, N. Tyagi, H. Yadav, Mater. Res. Bull. 169, 112516 (2024). https://doi.org/10.1016/j.materresbull.2023.11251610.1016/j.materresbull.2023.112516 ↗
21. S. Dhanuskodi, J. Ramajothi, J. Cryst. Res. Technol. 39, 592–597 (2004). https://doi.org/10.1002/crat.20031022910.1002/crat.200310229 ↗
22. J. Prywer, J. Cryst. Growth 270, 699–710 (2004). https://doi.org/10.1016/j.jcrysgro.2004.06.04610.1016/j.jcrysgro.2004.06.046 ↗
23. R.A. Sullivan, R. Davey, Cryst. Eng. Comm. 17, 1015–1023 (2015). https://doi.org/10.1039/C4CE01857E10.1039/C4CE01857E ↗
24. G.M. Sheldrick, Acta Cryst 64, 112–122 (2008). https://doi.org/10.1107/S002188981104320210.1107/S0021889811043202 ↗
25. L.J. Farrugia, J. Appl. Cryst. 45, 849–854 (2012). https://doi.org/10.1107/S002188981202911110.1107/S0021889812029111 ↗
26. K. Meindl, J. Henn, Acta Cryst. 64, 404–418 (2008). https://doi.org/10.1107/S010876730800687910.1107/S0108767308006879 ↗
27. N. Tyagi, N. Sinha, H. Yadav, B. Kumar, RSC Adv. 6, 24565–24576 (2016). https://doi.org/10.1039/C5RA18983G10.1039/C5RA18983G ↗
28. C.B. Hubschle, M.G. Sheldrick, B. Dittrich, J. Appl. Cryst. 44, 1281–1284 (2011). https://doi.org/10.1107/S002188981104320210.1107/S0021889811043202 ↗
29. M.A. Spackman, D. Jayatilaka, Cryst. Eng. Comm. 11, 19–32 (2009). https://doi.org/10.1039/B818330A10.1039/B818330A ↗
30. N. Tyagi, H. Yadav, A. Hussaina, B. Kumar, J. Mol. Struct. 1224, 129190 (2021). https://doi.org/10.1016/j.molstruc.2020.12919010.1016/j.molstruc.2020.129190 ↗
31. M.A. Spackman, Phys. Scr. 87, 048103 (2013). https://doi.org/10.1088/0031-8949/87/04/04810310.1088/0031-8949/87/04/048103 ↗
32. S.K. Wolff, D.J. Grimwood, J.J. McKinnon, M.J. Turner, D. Jayatilaka, M.A. Spackman, CrystalExplorer 3.1 (University of Western Australia, 2012)
33. G.A. Senchyk, A.B. Lysenko, H. Krautscheid, K.V. Domasevitch, Acta Cryst. E 76, 780–784 (2020). https://doi.org/10.1107/S205698902000585X10.1107/S205698902000585X ↗
34. J.T. Michael, J.J. McKinnon, D. Jayatilaka, M.A. Spackman, Cryst. Eng. Comm. 13, 1804–1813 (2011). https://doi.org/10.1039/C0CE00683A10.1039/C0CE00683A ↗
35. U.M. Sumaya, E. Sankar, K.A. MohanaKrishnan, K. Birunthaa, G. Usha, Acta Cryst. E 74, 878–883 (2018). https://doi.org/10.1107/S205698901800797110.1107/S2056989018007971 ↗
36. C.F. Mackenzie, P.R. Spackman, D. Jayatilaka, M.A. Spackman, IUCrJ 4, 575–587 (2017). https://doi.org/10.1107/S205225251700848X10.1107/S205225251700848X ↗
37. C. Jelsch, S. Soudani, C.B. Nasr, IUCrJ 2, 327–340 (2015). https://doi.org/10.1107/S205225251500325510.1107/S2052252515003255 ↗
38. M.G. Babashkina, K. Robeyns, Y. Filinchuk, D.A. Safin, New J. Chem. 40, 1230–1236 (2016). https://doi.org/10.1107/S205225251500325510.1107/S2052252515003255 ↗
39. A.D. Santo, H. Pérez, G.A. Echeverr, O.E. Piro, R.A. Iglesias, R.E. Carbonio, A.B. Altabef, D.M. Gil, RSC Adv. 8, 23891–23902 (2018). https://doi.org/10.1039/C8RA04452J10.1039/C8RA04452J ↗
40. K.C. Kao, Dielectric Phenomena in Solids (Elsevier Academic Press, California, 2004)
41. H. Yadav, N. Sinha, B. Kumar, Cryst. Growth Des. 15, 4908–4917 (2015). https://doi.org/10.1021/acs.cgd.5b0079210.1021/acs.cgd.5b00792 ↗
42. S. Guerin, S.A.M. Tofail, D. Thompson, Cryst. Growth Des. 18(9), 4844–4848 (2018). https://doi.org/10.1021/acs.cgd.8b0083510.1021/acs.cgd.8b00835 ↗
43. K. Sangwal, Cryst. Res. Technol. 44, 1019–1037 (2009). https://doi.org/10.1002/crat.20090038510.1002/crat.200900385 ↗
44. N. Tyagi, N. Sinha, H. Yadav, B. Kumar, Phys. B 462, 18–24 (2015). https://doi.org/10.1016/j.physb.2015.01.00510.1016/j.physb.2015.01.005 ↗
45. M.J. Turner, J.J. McKinnon, D. Jayatilaka, M.A. Spackman, Cryst. Eng. Comm. 13, 1804–1813 (2011). https://doi.org/10.1039/C0CE00683A10.1039/C0CE00683A ↗
46. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al. Gaussian 09 (Gaussian Inc., Wallingford, 2016)
47. A.D. Becke, J. Chem. Phys. 98, 5648–5652 (1993). https://doi.org/10.1063/1.46491310.1063/1.464913 ↗
48. C. Lee, Y. Weitao, G.P. Robert, Phys. Rev. B 37(2), 785 (1988). https://doi.org/10.1103/PhysRevB.37.78510.1103/PhysRevB.37.785 ↗
49. J. Aihara, J. Phys. Chem. A 103(37), 7487–7495 (1999). https://doi.org/10.1021/jp990092i10.1021/jp990092i ↗
50. R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Science Publications, New York, 1989)
51. N. Venkatesh, B. Naveen, A. Venugopal, G. Suresh, V. Mahipal, P. Manojkumar, T. Parthasarathy, J. Mol. Struct. 1196, 462–477 (2019). https://doi.org/10.1016/j.molstruc.2019.06.08310.1016/j.molstruc.2019.06.083 ↗
52. N.M.O. Boyle, A.L. Tenderholt, K.M. Langner, J. Comput. Chem. 29, 839–845 (2008). https://doi.org/10.1002/jcc.2082310.1002/jcc.20823 ↗
53. G. Paul, F.D. Proft, W. Langenaeker, Chem. Rev. 103, 1793–1874 (2003). https://doi.org/10.1021/cr990029p10.1021/cr990029p ↗
54. R.G. Parr, V.S. László, L. Shubin, J. Am. Chem. Soc. 121(9), 1922–1924 (1999). https://doi.org/10.1021/ja983494x10.1021/ja983494x ↗
55. A.Z. El-Sonbati, M.A. Diab, A.A. El-Bindary, S.M. Morgan, Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 127, 310–328 (2014). https://doi.org/10.1016/j.saa.2014.02.03710.1016/j.saa.2014.02.037 ↗
56. K. Daniel, M. El Helou, C. Gemel, G. Witte, Cryst. Growth Des. 8(8), 3053–3057 (2008). https://doi.org/10.1021/cg800195u10.1021/cg800195u ↗
57. F.J. Luque, J.M. López, M. Orozco, S. Miertus, E. Scrocco, J. Tomasi, Chem. Phys. 117 Theoretical Chemistry Accounts 103 (2000), 343–345 (1981). https://doi.org/10.1007/s00214990001310.1007/s002149900013 ↗