journal article·2022-09

Electronic structure of two-dimensional-layered PbTiO3 perovskite crystal: an extended tight-binding study based on DFT

Fatih Ahmet Celik

Bulletin of Materials Science· Volume 45· Issue 3
Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Ferroelectric and Piezoelectric Materials · Electronic and Structural Properties of Oxides · Multiferroics and related materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (28)

Show source-provided references
1. Alam N N, Malik N A, Samat M H, Hussin N H, Jaafar N K, Radzwan A et al 2021 Surf. Interfaces 27 10152410.1016/j.surfin.2021.101524 ↗
2. Noor N A, Mahmood Q, Rashid M, Haq B U, Laref A and Ahmad S A 2018 J. Solid State Chem. 263 11510.1016/j.jssc.2018.04.017 ↗
3. Eglitis R I, Purans J and Jia R 2021 Cryst. 11 45510.3390/cryst11040455 ↗
4. Piskunov S, Heifets E, Eglitis R I and Borstel G 2004 Comput. Mater. Sci. 29 16510.1016/j.commatsci.2003.08.036 ↗
5. Eglitis R I 2009 Integr. Ferroelectr. 108 1110.1080/10584580903324022 ↗
6. Piskunov S, Kotomin E A and Heifets E 2005 Microelectron. Eng. 81 47210.1016/j.mee.2005.03.049 ↗
7. Meyer B, Padilla J and Vanderbilt D 1999 Faraday Disc. 114 39510.1039/a903029h ↗
8. Noguchi Y 2021 J. Ceram. Soc. Jpn. 129 27110.2109/jcersj2.21039 ↗
9. Munkholm A, Streiffer S K, Murty M R, Eastman J A, Thompson C, Auciello O et al 2001 Phys. Rev. Lett. 88 01610110.1103/PhysRevLett.88.016101 ↗
10. Tasleem S and Tahir M 2020 Renew. Sust. Energ. Rev. 132 11007310.1016/j.rser.2020.110073 ↗
11. Leite E R, Santos L P S, Carreno N L V, Longo E, Paskocimas C A, Varela J A et al 2001 Appl. Phys. Lett. 78 214810.1063/1.1362200 ↗
12. Heifets E, Eglitis R I, Kotomin E A, Maier J and Borstel G 2001 Phys. Rev. B 64 23541710.1103/PhysRevB.64.235417 ↗
13. Shimada T, Tomoda S and Kitamura T 2009 Phys. Rev. B 79 02410210.1103/PhysRevB.79.024102 ↗
14. Eglitis R I, Piskunov S, Heifets E, Kotomin E A and Borstel G 2004 Ceram. Int. 30 198910.1016/j.ceramint.2003.12.176 ↗
15. Eglitis R I and Vanderbilt D 2008 Phys. Rev. B 77 19540810.1103/PhysRevB.77.195408 ↗
16. Zhang J M, Pang Q, Xu K W and Ji V 2009 Comput. Mater. Sci. 44 136010.1016/j.commatsci.2008.09.002 ↗
17. Lazaro S, Longo E, Sambrano J R and Beltrán A 2004 Surf. Sci. 552 14910.1016/j.susc.2004.01.041 ↗
18. Goh E S, Ong L H, Yoon T L and Chew K H 2016 Curr. Appl. Phys. 16 149110.1016/j.cap.2016.08.024 ↗
19. Liu H, Seifert G and Di Valentin C 2019 J. Chem. Phys. 150 09470310.1063/1.5085190 ↗
20. Grimme S, Bannwarth C and Shushkov P 2017 J. Chem. Theory Comput. 13 198910.1021/acs.jctc.7b00118 ↗
21. Bursch M, Neugebauer H and Grimme S 2019 Angew. Chem. Int. Ed. 58 1107810.1002/anie.201904021 ↗
22. Kohn W and Sham L J 1965 Phys. Rev. 140 A113310.1103/PhysRev.140.A1133 ↗
23. Oliveira A F, Seifert G, Heine T and Duarte H A 2009 J. Braz. Chem. Soc. 20 119310.1590/S0103-50532009000700002 ↗
24. Vicent-Luna J M, Apergi S and Tao S 2021 J Chem. Inf. Model. 61 441510.1021/acs.jcim.1c00432 ↗
25. Te Velde G T, Bickelhaupt F M, Baerends E J, Fonseca Guerra C, van Gisbergen S J A, Snijders J G et al 2001 J. Comput. Chem. 22 93110.1002/jcc.1056 ↗
26. Fonseca Guerra C, Snijders J G, te Velde G and Baerends E J 1998 Theor. Chem. Acc. 99 391
27. Rüger R, Yakovlev A, Philipsen P, Borini S, Melix P, Oliveira A F et al 2013 AMS DFTB 2021.1, SCM, Theoretical Chemistry (Amsterdam, The Netherlands: Vrije Universiteit)
28. Tao S X, Notten P H, van Santen R A and Jansen A P 2011 Comput. Mater. Sci. 50 296010.1016/j.commatsci.2011.05.014 ↗