Spin Properties of Chiral BN Nanotubes (7, n2)

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Resumo

Using the nonempirical relativistic augmented cylindrical wave method, the dependences of the electronic structure of single-layer (n1, n2) BN nanotubes with n1 = 7 and 6 ≥ n2 ≥ 1 on chirality and spin are calculated. All nanotubes are wide-bandgap semiconductors with optical gaps equal to 3.6–4.6 eV and spin-orbit splittings of the top of the valence band and the minimum of the conduction band of 0.15–0.004 meV. The energies of spin splittings in right- and left-handed nanotubes coincide, and the spin directions are opposite. The (7, 1) nanotube is most suitable for selective spin transport of electrons, which can find application in spintronics elements.

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Sobre autores

P. Dyachkov

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

Autor responsável pela correspondência
Email: p_dyachkov@rambler.ru
Rússia, 31, Leninsky Ave., Moscow, 119991

E. Dyachkov

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

Email: p_dyachkov@rambler.ru
Rússia, 31, Leninsky Ave., Moscow, 119991

Bibliografia

  1. Rikken G.L., Avarvari N.J. // Phys. Chem. Lett. 2023. V. 14. P. 9727. https://doi.org/10.1021/acs.jpclett.3c02546
  2. Atzori M., Santanni F., Breslavetz I. // J. Am. Chem. Soc. 2020. V. 142. P. 13908. https://doi.org/10.1021/jacs.0c06166
  3. Tokura Y., Nagaosa N. // Nature Commun. 2018. V. 9. P. 3740. https://doi.org/10.1038/s41467-018-05759-4
  4. Chang G., Wiede B.J., Schindler F. // Nat. Mater. 2018. V. 17. P. 978. https://doi.org/10.1038/s41563-018-0169-3
  5. Adhikari Y., Liu T., Wang H. // Nat. Commun. 2023. V. 14. P. 5163. https://doi.org/10.1038/s41467-023-40884-9
  6. Yang S.H. // Appl. Phys. Lett. 2020. 116. P. 120502. https://doi.org/10.1063/1.5144921
  7. Yang S.H., Naaman R., Stuart P.Y. et al. // Nat. Rev. Phys. 2021. V. 3. P. 328. https://doi.org/10.1038/s42254-021-00302-9
  8. Michael K., Kantor-Urie N., Naaman R. et al. // Chem. Soc. Rev. 2016. V. 45. P. 6478. https://doi.org/10.1039/C6CS00369A
  9. Naaman R., Waldeck D.H. // Annu. Rev. Phys. Chem. 2015. V. 66. P. 263. https://doi.org/10.1146/annurev-physchem-040214-121554
  10. Yang S.H. // Appl. Phys. Lett. 2021. V. 16. P. 120502. https://doi.org/10.1063/5.0039147
  11. Waldeck D.H., Naaman R., Paltiel Y. // APL Mater. 2021. V. 9. P. 040902. https://doi.org/10.1063/5.0049150
  12. Wang X., Changjiang Y., Felser C. // Adv. Mater. 2023. V. 36. P. 2308746. https://doi.org/10.1002/adma.202308746
  13. Manchon A., Koo H.C., Nitta J. et al. // Nat. Mater. 2015. V. 14. P. 871. https://doi.org/10.1038/nmat4360
  14. Yeom J. // Acc. Mater. Res. 2021. V. 2. P. 471. https://doi.org/10.1021/accountsmr.1c00059
  15. Bercioux D., Lucignano P. // Rep. Prog. Phys. 2015. V. 78. P. 106001. https://doi.org/10.1088/0034-4885/78/10/106001
  16. Yan B. // Annu. Rev. Mater. Res. 2024. V. 54. P. 97. https://doi.org/10.1146/annurev-matsci-080222-033548
  17. Cohen M.L., Zettl A. // Phys. Today. 2010. V. 11. P. 34. https://doi.org/10.1063/1.3518210
  18. Golberg D., Bando Y., Tang A. et al. // Adv. Mater. 2007. V. 19. P. 2413. https://doi.org/10.1002/adma.200700179
  19. Chopra N.G., Luyken R.J., Cherrey K. et al. // Science. 1995. V. 269. P. 966. https://doi.org/10.1126/science.269.5226.966
  20. Maselugbo A.O., Harrison H.B., Alston J.R. // J. Mater. Res. 2022. V. 37. P. 4438. https://doi.org/10.1557/s43578-022-00672
  21. Zhang D., Zhang S., Yapici B. et al. // ACS Omega. 2021. V. 6. P. 20722. https://doi.org/10.1021/acsomega.1c02586
  22. Kim J.H., Pham T.V., Hwang J.H. et al. // Nano Convergence. 2018. V. 5. P. 17. https://doi.org/10.1186/s40580-018-0149-y
  23. Lee C.H., Wang J., Kayatsha S. et al. // Nanotechnology. 2008. V. 19. P. 455605. https://doi.org/10.1088/0957-4484/19/45/455605
  24. Xu T., Zhou Y., Tan X. // Adv. Funct. Mater. 2016. V. 27. P. 19. https://doi.org/10.1002/adfm.201603897
  25. Smith M.W., Jordan K.C., Park C. et al. // Nanotechnology. 2009. V. 20. P. 505604. https://doi.org/10.1088/0957-4484/20/50/505604
  26. Wang W.X., Bando M.S.Y., Golberg D. // Adv. Mater. 2010. V. 22. P. 4895. https://doi.org/10.1002/adma.201001829
  27. Ghassemi H.M., Lee C.H., Yap Y.K. // JOM. 2010. V. 62. P. 69. https://doi.org/10.1007/s11837-010-0063-1
  28. Blasé X., Rubio A., Louie S.G. et al. // EPL. 1994. V. 28. P. 335. https://doi.org/10.1209/0295-5075/28/5/007
  29. Ma R., Bando Y., Zhu H. et al. // J. Am. Chem. Soc. 2002. V. 124. P. 7672. https://doi.org/10.1021/ja026030e
  30. Lee C.H., Qin S., Savaikar M.A. et al. // Adv. Mater. 2013. V. 25. P. 4544. https://doi.org/10.1002/adma.201301339
  31. Qin J.-K., Liao P.-Y., Si M. et al. // Nat. Electron. 2020. V. 3. P. 141. https://doi.org/10.1038/s41928-020-0365-4
  32. Otsuka K., Sugihara T., Inoue T. et al. // Nano Res. 2023. V. 16. P. 12840. https://doi.org/10.1007/s12274-023-6241-6
  33. Shakerzadeh E. // Micro Nano Technol. 2016. P. 59. https://doi.org/10.1016/B978-0-323-38945-7.00004-3
  34. Rubio A., Corkill J., Cohen M.L. // Phys. Rev. B. 1994. V. 49. P. 5081. https://doi.org/10.1103/PhysRevB.49.5081
  35. Xiang H.J., Yang J.J., Hou G. et al. // Phys. Rev. B. 2003. V. 68. P. 035427. https://doi.org/10.1103/PhysRevB.68.035427
  36. Zhi C., Ueda S., Zeng H. et al. // J. Appl. Phys. 2013. V. 14. P. 054306. http://dx.doi.org/10.1063/1.4817430
  37. Guo G.Y., Lin J.C. // Phys. Rev. B. 2005. V. 71. P. 165402. https://doi.org/ 10.1103/PhysRevB.71.165402
  38. Ivanovskaya V.V., Enyashin A.N., Ivanovskii A.L. // Russ. J. Phys. Chem. 2006. V. 80. P. 372. https://doi.org/10.1134/S0036024406030125
  39. Jonuarti R., Yusfi M., Dewi T. et al. // J. Phys.: Conference Series. 2020. V. 1428. P. 012005. https://doi.org/10.1088/1742-6596/1428/1/012005
  40. Zhukovskii Y.F., Bellucci S., Piskunov S. et al. // Eur. Phys. J. B. 2009. V. 67. P. 519. https://doi.org/10.1140/epjb/e2009-00038-2
  41. Cho Y.J., Kim C.H., Kim H.S. et al. // Chem. Mater. 2009. V. 21. P. 136. https://doi.org/10.1021/cm802559m
  42. Wu R. Q., Liu L., Peng G.W. et al. // Appl. Phys. Lett. 2005. V. 86. P. 122510. http://dx.doi.org/10.1063/1.1890477
  43. D’yachkov P.N., Makaev D.V. // J. Phys. Chem. Solids. 2008. V. 70. P. 180. https://doi.org/10.1016/j.jpcs.2008.10.002
  44. Enyashin A., Seifert G., Ivanovskii A. // JETP Lett. 2004. V. 80. P. 608. https://doi.org/10.1134/1.1851644
  45. Kamal B.D., Pati R. // Sensors. 2014. V. 14. P. 17655. https://doi.org/10.3390/s140917655
  46. Hou S., Shen Z., Zhang J. et al. // Chem. Phys. Lett. 2004. V. 393. P. 179. https://doi.org/10.1016/j.cplett.2004.06.014
  47. Mpourmpakis G., Froudakis G.E. // Catal. Today. 2007. V. 120. P. 341. https://doi.org/10.1016/j.cattod.2006.09.023
  48. Baei M.T., Soltani A.R., Moradi A.V. et al. // Comput. Theor. Chem. 2011. V. 970. P. 30. https://doi.org/10.1016/j.comptc.2011.05.021
  49. Abbasi A.J. // Water Environ. Nanotechnol. 2019. V. 4. P. 147. https://doi.org/10.22090/jwent.2019.02.006
  50. Farhami N.A. // J. Appl. Organomet. Chem. 2022. V. 2. P. 163. https://doi.org/10.22034/jaoc.2022.154821
  51. Nemati-Kande E., Pourasadi A., Aghababaei F. et al. // Sci. Reports. 2022. V. 12. P. 19972. https://www.nature.com/articles/s41598-022-24200-x
  52. Ray K., Ananthavel S.P., Waldeck D.H. // Science. 1999. V. 283. P. 814. https://doi.org/10.1126/science.283.5403.814
  53. Göhler B., Hamelbeck V., Markus T.Z. // Science. 2011. V. 331. P. 894. https://doi.org/10.1126/science.1199339
  54. Yeganeh S., Ratner M.A., Medina E. // J. Chem. Phys. 2009. V. 131. P. 014707. https://doi.org/10.1063/1.3167404
  55. Eremko A.A., Loktev V.M. // Phys. Rev. B. 2013. V. 88. P. 165409. https://doi.org/10.1103/PhysRevB.88.165409
  56. Gutierrez R., Díaz E., Naaman R. // Phys. Rev. B. 2012. V. 85. P. 081404(R). https://doi.org/10.1103/PhysRevB.85.081404
  57. Gutierrez R., Díaz E., Gaul C. // J. Phys. Chem. C. 2013. V. 117. P. 22276. https://doi.org/10.1021/jp401705x
  58. Naaman R., Paltiel Y., Waldeck D.H. // Acc. Chem. Res. 2020. V. 53. P. 2659. https://doi.org/10.1021/acs.accounts.0c00485
  59. Michaeli K., Naaman R. // J. Phys. Chem. C. 2019. V. 123. P. 17043. https://doi.org/10.1021/acs.jpcc.9b05020
  60. Naaman R., Paltiel Y., Waldeck D.H. // J. Phys. Chem. Lett. 2020. V. 11. P. 3660. https://doi.org/10.1021/acs.jpclett.0c00474
  61. Fransson J. // J. Phys. Chem. Lett. 2019. V. 10. P. 7126. https://doi.org/10.1021/acs.jpclett.9b02929
  62. Fransson J. // J. Phys. Chem. Lett. 2022. V. 13. P. 808. https://doi.org/10.1021/acs.jpclett.1c03925
  63. Dalum. S., Hedegård P. // Nano Lett. 2019. V. 19. P. 5253. https://doi.org/10.1021/acs.nanolett.9b01707.
  64. D’yachkov P.N. Quantum chemistry of nanotubes: electronic cylindrical waves; CRC. Press London: Taylor and Francis, 2019. 212 p.
  65. D’yachkov P.N., Makaev D.V. // Phys. Rev. B. 2007. V. 76. P. 19541. https://doi.org/10.1103/PhysRevB.76.195411
  66. D’yachkov P.N., Makaev D.V. // Int. J. Quantum Chem. 2016. V. 116. P. 316. https://doi.org/10.1002/qua.25030
  67. D’yachkov P.N., D’yachkov E.P. // Appl. Phys. Lett. 2022. V. 120. P. 173101. https://doi.org/10.1063/5.0086902
  68. D’yachkov E.P., D’yachkov P.N. // J. Phys. Chem. C. 2019. V. 123. P. 26005. https://doi.org/10.1021/acs.jpcc.9b07610
  69. D’yachkov P.N., Krasnov D.O. // Chem. Phys. Lett. 2019. V. 720. P. 15. https://doi.org/10.1016/j.cplett.2019.02.006
  70. D’yachkov P.N. // J. Nanotechnol. Smart Mater. 2023. V. 9. P. 102. https://doi.org/10.1109/5.771073
  71. Дьячков П.Н., Кулямин П.А. // Журн. неорган. химии. 2024. Т. 69. № 9. С. 1319.
  72. Дьячков Е.П., Меринов В.Б., Дьячков П.Н. // Журн. неорган. химии. 2024. Т. 69. № 5. С. 757.

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2. Fig. 1. Electronic structure of a nanotube (7, 1): a - general view without CO splitting, b - electronic levels of the valence band and conduction band edges in enlarged scale, c, d - CO splitting of boundary levels in right-handed (rh) (c) and left-handed (lh) (d) nanotubes; π / hz = 5.73 at. units-1.

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3. Fig. 2. General view of the zone structure of chiral BN nanotube (7, 2).

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4. Fig. 3. Zone structure of the BN nanotube (7, 3); π / hz = 6.74 at. units-1.

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5. Fig. 4. General view of the dispersion curves of BN nanotubes (7, 4), (7, 5) and (7, 6) for positive values of the wave vector; π / hz = 7.32, 7.92 and 7.55 at. units-1.

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