journal article·2020-01-01Open access

Molecular dynamics simulations of the response of pre-damaged SrTiO3 and KTaO3 to fast heavy ions

Eva Zarkadoula, Yanwen Zhang, William J. Weber

AIP Advances· Volume 10· Issue 1

Abstract

We investigate the energy dissipation and track formation due to ion irradiation in SrTiO3 and KTaO3. We use molecular dynamics simulations combined with the inelastic thermal spike model to simulate 21 MeV Ni ion irradiation in pristine and predamaged samples. The results are validated against experimental findings, showing that the level of initial disorder affects the electron-phonon interactions and the energy dissipation and deposition to the atoms. It is predicted that the ion track size increases linearly for low disorder levels, while its size saturates for high levels of disorder.
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Research context

OpenAlex topics: Electronic and Structural Properties of Oxides · Ion-surface interactions and analysis · Ferroelectric and Piezoelectric Materials

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Affiliations

Materials Science and Technology Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831, USA

Department of Materials Science and Engineering, University of Tennessee 2 , Knoxville, Tennessee 37996, USA

Funding

Basic Energy Sciences

References (46)

Show source-provided references
1. Phys. Rev. B · 2011 · 83 · 05410610.1103/physrevb.83.054106 ↗
2. Appl. Phys. Lett. · 2013 · 102 · 14190610.1063/1.4801518 ↗
3. Europhys. Lett. · 2013 · 102 · 2600210.1209/0295-5075/102/26002 ↗
4. Phys. Chem. Chem. Phys. · 2014 · 16 · 805110.1039/c4cp00392f ↗
5. Sci. Rep. · 2014 · 4 · 574210.1038/srep05742 ↗
6. J. Phys. D: Appl. Phys. · 2012 · 45 · 50530510.1088/0022-3727/45/50/505305 ↗
7. Appl. Phys. Lett. · 2015 · 107 · 26190210.1063/1.4939110 ↗
8. Phys. Rev. B · 2012 · 86 · 10010210.1103/physrevb.86.100102 ↗
9. RSC Adv. · 2012 · 2 · 59510.1039/c1ra00870f ↗
10. Nucl. Instrum. Methods Phys. Res., Sect. B · 2014 · 327 · 3310.1016/j.nimb.2013.10.095 ↗
11. Scr. Mater. · 2019 · 173 · 15410.1016/j.scriptamat.2019.08.013 ↗
12. Phys. Rev. B · 2008 · 78 · 05411110.1103/physrevb.78.054111 ↗
13. Sci. Rep. · 2015 · 5 · 772610.1038/srep07726 ↗
14. Acta Mater. · 2018 · 150 · 35110.1016/j.actamat.2018.03.027 ↗
15. AIP Adv. · 2017 · 7 · 01501610.1063/1.4973938 ↗
16. Mater. Res. Lett. · 2018 · 6 · 53110.1080/21663831.2018.1495131 ↗
17. J. Appl. Phys. · 2000 · 87 · 345010.1063/1.372365 ↗
18. J. Appl. Phys. · 2001 · 89 · 524310.1063/1.1361065 ↗
19. Nature · 2002 · 419 · 5510.1038/nature01010 ↗
20. Appl. Surf. Sci. · 2003 · 211 · 10210.1016/s0169-4332(03)00175-2 ↗
21. Nature · 2004 · 430 · 75810.1038/nature02773 ↗
22. Phys. Rev. B · 2010 · 81 · 15511010.1103/physrevb.81.155110 ↗
23. Physica B · 2012 · 407 · 263210.1016/j.physb.2012.04.013 ↗
24. Nat. Mater. · 2014 · 13 · 48110.1038/nmat3914 ↗
25. APL Mater. · 2015 · 3 · 03610410.1063/1.4914310 ↗
26. AIP Adv. · 2015 · 5 · 05714710.1063/1.4921642 ↗
27. Adv. Funct. Mater. · 2018 · 28 · 170715910.1002/adfm.201707159 ↗
28. Mat. Fys. Medd. K. Dan. Vidensk. Selsk. · 2006 · 52 · 263
29. Nucl. Tracks Radiat. Meas. · 1986 · 11 · 30910.1016/1359-0189(86)90057-9 ↗
30. J. Phys.: Condens. Matter · 1993 · 5 · 457310.1088/0953-8984/5/26/027 ↗
31. Nucl. Instrum. Methods Phys. Res., Sect. B · 2005 · 237 · 56310.1016/j.nimb.2005.02.025 ↗
32. J. Appl. Phys. · 2008 · 103 · 03351310.1063/1.2838221 ↗
33. Appl. Phys. Lett. · 2008 · 93 · 09290210.1063/1.2978072 ↗
34. Phys. Chem. Chem. Phys. · 2015 · 17 · 2253810.1039/c5cp02382c ↗
35. J. Nucl. Mater. · 2005 · 340 · 18710.1016/j.jnucmat.2004.11.009 ↗
36. J. Nucl. Mater. · 2013 · 443 · 21210.1016/j.jnucmat.2013.07.021 ↗
37. Appl. Phys. Lett. · 2011 · 98 · 22190410.1063/1.3579993 ↗
38. Chem. Mater. · 2012 · 24 · 33110.1021/cm203042q ↗
39. J. Mater. Chem. · 2006 · 16 · 191110.1039/b517931a ↗
40. Philos. Mag. A · 1997 · 75 · 83310.1080/01418619708207205 ↗
41. Phys. Rev. B · 1995 · 52 · 393010.1103/physrevb.52.3930 ↗
42. 1985
43. 2012
44. Mater. Sci. Rep. · 1989 · 4 · 4110.1016/s0920-2307(89)80005-2 ↗
45. J. Nucl. Mater. · 2002 · 300 · 24210.1016/s0022-3115(01)00733-4 ↗
46. Temperature-induced phase transitions during ion-beam irradiation of the perovskite-structure oxides