Spin Properties of Chiral BN Nanotubes (7, n2)
- Authors: Dyachkov P.N.1, Dyachkov E.P.1
-
Affiliations:
- Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
- Issue: Vol 70, No 6 (2025)
- Pages: 813-820
- Section: КООРДИНАЦИОННЫЕ СОЕДИНЕНИЯ
- URL: https://ruspoj.com/0044-457X/article/view/686415
- DOI: https://doi.org/10.31857/S0044457X25060099
- EDN: https://elibrary.ru/IBZMVZ
- ID: 686415
Cite item
Abstract
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.
Full Text

About the authors
P. N. Dyachkov
Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Author for correspondence.
Email: p_dyachkov@rambler.ru
Russian Federation, 31, Leninsky Ave., Moscow, 119991
E. P. Dyachkov
Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Email: p_dyachkov@rambler.ru
Russian Federation, 31, Leninsky Ave., Moscow, 119991
References
- Rikken G.L., Avarvari N.J. // Phys. Chem. Lett. 2023. V. 14. P. 9727. https://doi.org/10.1021/acs.jpclett.3c02546
- Atzori M., Santanni F., Breslavetz I. // J. Am. Chem. Soc. 2020. V. 142. P. 13908. https://doi.org/10.1021/jacs.0c06166
- Tokura Y., Nagaosa N. // Nature Commun. 2018. V. 9. P. 3740. https://doi.org/10.1038/s41467-018-05759-4
- Chang G., Wiede B.J., Schindler F. // Nat. Mater. 2018. V. 17. P. 978. https://doi.org/10.1038/s41563-018-0169-3
- Adhikari Y., Liu T., Wang H. // Nat. Commun. 2023. V. 14. P. 5163. https://doi.org/10.1038/s41467-023-40884-9
- Yang S.H. // Appl. Phys. Lett. 2020. 116. P. 120502. https://doi.org/10.1063/1.5144921
- 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
- Michael K., Kantor-Urie N., Naaman R. et al. // Chem. Soc. Rev. 2016. V. 45. P. 6478. https://doi.org/10.1039/C6CS00369A
- Naaman R., Waldeck D.H. // Annu. Rev. Phys. Chem. 2015. V. 66. P. 263. https://doi.org/10.1146/annurev-physchem-040214-121554
- Yang S.H. // Appl. Phys. Lett. 2021. V. 16. P. 120502. https://doi.org/10.1063/5.0039147
- Waldeck D.H., Naaman R., Paltiel Y. // APL Mater. 2021. V. 9. P. 040902. https://doi.org/10.1063/5.0049150
- Wang X., Changjiang Y., Felser C. // Adv. Mater. 2023. V. 36. P. 2308746. https://doi.org/10.1002/adma.202308746
- Manchon A., Koo H.C., Nitta J. et al. // Nat. Mater. 2015. V. 14. P. 871. https://doi.org/10.1038/nmat4360
- Yeom J. // Acc. Mater. Res. 2021. V. 2. P. 471. https://doi.org/10.1021/accountsmr.1c00059
- Bercioux D., Lucignano P. // Rep. Prog. Phys. 2015. V. 78. P. 106001. https://doi.org/10.1088/0034-4885/78/10/106001
- Yan B. // Annu. Rev. Mater. Res. 2024. V. 54. P. 97. https://doi.org/10.1146/annurev-matsci-080222-033548
- Cohen M.L., Zettl A. // Phys. Today. 2010. V. 11. P. 34. https://doi.org/10.1063/1.3518210
- Golberg D., Bando Y., Tang A. et al. // Adv. Mater. 2007. V. 19. P. 2413. https://doi.org/10.1002/adma.200700179
- 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
- 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
- Zhang D., Zhang S., Yapici B. et al. // ACS Omega. 2021. V. 6. P. 20722. https://doi.org/10.1021/acsomega.1c02586
- 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
- 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
- Xu T., Zhou Y., Tan X. // Adv. Funct. Mater. 2016. V. 27. P. 19. https://doi.org/10.1002/adfm.201603897
- 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
- Wang W.X., Bando M.S.Y., Golberg D. // Adv. Mater. 2010. V. 22. P. 4895. https://doi.org/10.1002/adma.201001829
- Ghassemi H.M., Lee C.H., Yap Y.K. // JOM. 2010. V. 62. P. 69. https://doi.org/10.1007/s11837-010-0063-1
- 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
- Ma R., Bando Y., Zhu H. et al. // J. Am. Chem. Soc. 2002. V. 124. P. 7672. https://doi.org/10.1021/ja026030e
- Lee C.H., Qin S., Savaikar M.A. et al. // Adv. Mater. 2013. V. 25. P. 4544. https://doi.org/10.1002/adma.201301339
- 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
- Otsuka K., Sugihara T., Inoue T. et al. // Nano Res. 2023. V. 16. P. 12840. https://doi.org/10.1007/s12274-023-6241-6
- Shakerzadeh E. // Micro Nano Technol. 2016. P. 59. https://doi.org/10.1016/B978-0-323-38945-7.00004-3
- Rubio A., Corkill J., Cohen M.L. // Phys. Rev. B. 1994. V. 49. P. 5081. https://doi.org/10.1103/PhysRevB.49.5081
- 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
- Zhi C., Ueda S., Zeng H. et al. // J. Appl. Phys. 2013. V. 14. P. 054306. http://dx.doi.org/10.1063/1.4817430
- Guo G.Y., Lin J.C. // Phys. Rev. B. 2005. V. 71. P. 165402. https://doi.org/ 10.1103/PhysRevB.71.165402
- Ivanovskaya V.V., Enyashin A.N., Ivanovskii A.L. // Russ. J. Phys. Chem. 2006. V. 80. P. 372. https://doi.org/10.1134/S0036024406030125
- 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
- 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
- Cho Y.J., Kim C.H., Kim H.S. et al. // Chem. Mater. 2009. V. 21. P. 136. https://doi.org/10.1021/cm802559m
- 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
- 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
- Enyashin A., Seifert G., Ivanovskii A. // JETP Lett. 2004. V. 80. P. 608. https://doi.org/10.1134/1.1851644
- Kamal B.D., Pati R. // Sensors. 2014. V. 14. P. 17655. https://doi.org/10.3390/s140917655
- 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
- Mpourmpakis G., Froudakis G.E. // Catal. Today. 2007. V. 120. P. 341. https://doi.org/10.1016/j.cattod.2006.09.023
- 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
- Abbasi A.J. // Water Environ. Nanotechnol. 2019. V. 4. P. 147. https://doi.org/10.22090/jwent.2019.02.006
- Farhami N.A. // J. Appl. Organomet. Chem. 2022. V. 2. P. 163. https://doi.org/10.22034/jaoc.2022.154821
- 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
- Ray K., Ananthavel S.P., Waldeck D.H. // Science. 1999. V. 283. P. 814. https://doi.org/10.1126/science.283.5403.814
- Göhler B., Hamelbeck V., Markus T.Z. // Science. 2011. V. 331. P. 894. https://doi.org/10.1126/science.1199339
- Yeganeh S., Ratner M.A., Medina E. // J. Chem. Phys. 2009. V. 131. P. 014707. https://doi.org/10.1063/1.3167404
- Eremko A.A., Loktev V.M. // Phys. Rev. B. 2013. V. 88. P. 165409. https://doi.org/10.1103/PhysRevB.88.165409
- Gutierrez R., Díaz E., Naaman R. // Phys. Rev. B. 2012. V. 85. P. 081404(R). https://doi.org/10.1103/PhysRevB.85.081404
- Gutierrez R., Díaz E., Gaul C. // J. Phys. Chem. C. 2013. V. 117. P. 22276. https://doi.org/10.1021/jp401705x
- Naaman R., Paltiel Y., Waldeck D.H. // Acc. Chem. Res. 2020. V. 53. P. 2659. https://doi.org/10.1021/acs.accounts.0c00485
- Michaeli K., Naaman R. // J. Phys. Chem. C. 2019. V. 123. P. 17043. https://doi.org/10.1021/acs.jpcc.9b05020
- Naaman R., Paltiel Y., Waldeck D.H. // J. Phys. Chem. Lett. 2020. V. 11. P. 3660. https://doi.org/10.1021/acs.jpclett.0c00474
- Fransson J. // J. Phys. Chem. Lett. 2019. V. 10. P. 7126. https://doi.org/10.1021/acs.jpclett.9b02929
- Fransson J. // J. Phys. Chem. Lett. 2022. V. 13. P. 808. https://doi.org/10.1021/acs.jpclett.1c03925
- Dalum. S., Hedegård P. // Nano Lett. 2019. V. 19. P. 5253. https://doi.org/10.1021/acs.nanolett.9b01707.
- D’yachkov P.N. Quantum chemistry of nanotubes: electronic cylindrical waves; CRC. Press London: Taylor and Francis, 2019. 212 p.
- D’yachkov P.N., Makaev D.V. // Phys. Rev. B. 2007. V. 76. P. 19541. https://doi.org/10.1103/PhysRevB.76.195411
- D’yachkov P.N., Makaev D.V. // Int. J. Quantum Chem. 2016. V. 116. P. 316. https://doi.org/10.1002/qua.25030
- D’yachkov P.N., D’yachkov E.P. // Appl. Phys. Lett. 2022. V. 120. P. 173101. https://doi.org/10.1063/5.0086902
- 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
- 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
- D’yachkov P.N. // J. Nanotechnol. Smart Mater. 2023. V. 9. P. 102. https://doi.org/10.1109/5.771073
- Дьячков П.Н., Кулямин П.А. // Журн. неорган. химии. 2024. Т. 69. № 9. С. 1319.
- Дьячков Е.П., Меринов В.Б., Дьячков П.Н. // Журн. неорган. химии. 2024. Т. 69. № 5. С. 757.
Supplementary files
