Atomistic simulation of paratellurite α-TeO2 crystal. III. Anisotropy of ion transport under externally applied electric fields

封面

如何引用文章

全文:

开放存取 开放存取
受限制的访问 ##reader.subscriptionAccessGranted##
受限制的访问 订阅存取

详细

The features of ion transfer in α-TeO2 paratellurite crystals under conditions of an external constant electric field have been studied by the method of molecular dynamics. It is shown that the anisotropy of ion transport is more pronounced when the E field is applied along the c axis: at E = 350 kV/mm, diffusion increases by about 2 times for crystals with oxygen vacancies and 3 times for samples with additional interstitial oxygen atoms.

全文:

受限制的访问

作者简介

А. Ivanov-Schitz

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics of NRC “Kurchatov Institute”

编辑信件的主要联系方式.
Email: alexey.k.ivanov@gmail.com
俄罗斯联邦, Moscow

参考

  1. Кондратюк И.П., Мурадян Л.А., Писаревский Ю.В., Симонов В.И. // Кристаллография. 1987. Т. 32. Вып. 3. С. 609.
  2. Thomas P.A. // J. Phys. C. 1988. V. 21. P. 4611. http://stacks.iop.org/0022-3719/21/i=25/a=009
  3. Arlt G., Schweppe H. // Solid State Commun. 1968. V. 6. P. 783. https://doi.org/10.1016/0038–1098(68)90119-1
  4. Uchida N. // Phys. Rev. B. 1971. V. 4. P. 3736.
  5. Беляев Л.М., Бурков В.И., Гильварг А.Б. и др. // Кристаллография. 1975. Т. 20. Вып. 6. С. 1221.
  6. Кизель В.А., Бурков В.И. Гиротропия кристаллов. М.: Наука, 1980. 304 с.
  7. Акустические кристаллы. Справочник. Под. ред. Шаскольской М.П. М.: Наука, 1982. 632 с.
  8. Wang P., Zhang Z. // Appl. Opt. 2017. V. 56. P. 1647. https://doi.org/10.1364/AO.56.001647
  9. Ковальчук М.В., Благов А.Е., Куликов А.Г. и др. // Кристаллография. 2014. Т. 59. С. 950. https://doi.org/10.7868/S0023476114060149
  10. Куликов А.Г., Благов А.Е., Марченков Н.В. и др. // Письма в ЖЭТФ. 2018. Т. 107. С. 679. https://doi.org/10.7868/S0370274X18100119
  11. Kulikov A.G., Blagov A.E., Ilin A.S. et al. // J. Appl. Phys. 2020. V. 127. P. 065106. https://doi.org/10.1063/1.5131369
  12. Иванов-Шиц А.К. // Кристаллография. 2024. Т. 69. № 6. С. 1009. https://doi.org/10.31857/S0023476124060116
  13. Иванов-Шиц А.К. // Кристаллография. 2025. Т. 70. № 1. С. 62. https://doi.org/10.31857/S0023476125010089
  14. Smith W., Todorov I.T., Leslie M. // Z. Kristallogr. 2005. B. 220. S. 563. https://doi.org/10.1524/zkri.220.5.563.65076
  15. English N.J., Waldron C.J. // Phys. Chem. Chem. Phys. 2015. V. 17. P. 12407. https://doi.org/10.1039/c5cp00629e
  16. English N.J. // Crystals. 2021. V. 11. P. 1405. https://doi.org/10.3390/cryst11111405
  17. Jain H., Nowick A. S. // Phys. Status Solidi. A. 1981. V. 67. P. 701. https://doi.org/10.1002/pssa.2210670242
  18. Wegener J., Kanert O., Küchler R. et al. // Z. Naturforsch. A. 1994. V. 49. P. 1151. https://doi.org/10.1515/zna-1994-1208
  19. Wegener J., Kanert O., Küchler R. et al. // Radiat. Eff. Defects Solids. 1995. V. 114. P. 277.
  20. Hartmann E., Kovács L. // Phys. Status Solidi. A. 1982. V. 74. P. 59. https://doi.org/10.1002/pssa.2210740105

补充文件

附件文件
动作
1. JATS XML
下载
2. Fig. 1. Radial pair correlation functions for a defective TeO2 crystal with 15 oxygen vacancies (a) and 10 interstitial oxygen atoms (b) at 1200 K with and without an electric field: E = 350 kV/mm along the c axis for the Te–Te (1), Te–O (2), and O–O (3) pairs; E = 0 for the Te–Te (4), Te–O (5), and O–O (6) pairs.

下载 (208KB)
索引源数据
3. Fig. 2. Dependence of the oxygen diffusion coefficient at 1400 K on the magnitude of the electric field applied along the c axis in a crystal containing 15 oxygen vacancies (1) and 10 interstitial oxygen anions (2).

下载 (60KB)
索引源数据
4. Fig. 3. Temperature dependences of the oxygen diffusion coefficient in samples containing 15 oxygen vacancies (a–g) and 10 interstitial oxygen anions (d–h) without a field and with an electric field E = 350 kV/mm applied along different crystallographic directions: 1 – total diffusion coefficient, 2, 3, 4 – diffusion coefficients measured along axes a, b, c, respectively. Numbers near the straight lines are the activation energies of oxygen diffusion Ea.

下载 (497KB)
索引源数据

版权所有 © Russian Academy of Sciences, 2025