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317. Rabe KM (2010) Annu Rev Condens Matter Phys 1(1):211. https://doi.org/10.1146/
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318. Cohen AJ, Mori-Sanchez P, Yang W (2008) Science 321(5890):792. https://doi.org/10.1126/
science.1158722. http://www.sciencemag.org/cgi/doi/10.1126/science.1158722
319. Qiao L, Xiao HY, Meyer HM, Sun JN, Rouleau CM, Puretzky AA, Geohegan DB, Ivanov
IN, Yoon M, Weber WJ, Biegalski MD (2013) J Mater Chem C 1(31):4628. https://doi.org/
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320. Selcuk S, Selloni A (2015) J Phys Chem C 119(18):9973. https://doi.org/10.1021/acs.jpcc.
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321. Wang L, Maxisch T, Ceder G (2006) Phys Rev B Conden Matter Mater Phys
73(19):195107. https://doi.org/10.1103/PhysRevB.73.195107. https://link.aps.org/doi/10.
1103/PhysRevB.73.195107
322. O’Brien CJ, Rák Z, Brenner DW (2013) J Phys Condens Matter 25(44):445008.
https://doi.org/10.1088/0953-8984/25/44/445008. http://stacks.iop.org/0953-8984/25/i=44/
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323. Montoya A, Haynes BS (2011) Chem Phys Lett 502(1–3):63. https://doi.org/10.1016/j.cplett.
2010.12.015. http://linkinghub.elsevier.com/retrieve/pii/S000926141001599X
324. Chen J, Wu X, Selloni A (2011) Phys Rev B 83(24):245204. https://doi.org/10.1103/
PhysRevB.83.245204. https://link.aps.org/doi/10.1103/PhysRevB.83.245204
325. Wu Z, Cohen RE, Singh DJ (2004) Phys Rev B 70(10):104112. https://doi.org/10.1103/
PhysRevB.70.104112. https://link.aps.org/doi/10.1103/PhysRevB.70.104112
326. Koch W, Holthausen MC (2001) A chemist’s guide to density functional theory. Wiley-VCH
Verlag GmbH, Weinheim. FRG. https://doi.org/10.1002/3527600043. http://doi.wiley.com/
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327. Koo HJ, Whangbo MH (2008) Inorg Chem 47(11):4779. https://doi.org/10.1021/ic800216j.
http://pubs.acs.org/doi/abs/10.1021/ic800216j
328. Wei SH, Zunger A (1993) Phys Rev B 48(9):6111. https://doi.org/10.1103/PhysRevB.48.
6111. https://link.aps.org/doi/10.1103/PhysRevB.48.6111
329. Rodriguez-Fortea A, Llunell M, Alemany P, Canadell E (2009) Inorg Chem 48(13):5779.
https://doi.org/10.1021/ic900105u. http://pubs.acs.org/doi/abs/10.1021/ic900105u
330. Piskunov S, Kotomin EA, Heifets E, Maier J, Eglitis RI, Borstel G (2005) Surf
Sci 575(1–2):75. https://doi.org/10.1016/j.susc.2004.11.008. http://linkinghub.elsevier.com/
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331. Wahl R, Vogtenhuber D, Kresse G (2008) Phys Rev B Condens Matter Mater Phys
78(10):104116. https://doi.org/10.1103/PhysRevB.78.104116. https://link.aps.org/doi/10.
1103/PhysRevB.78.104116
332. Kvyatkovskii OE, Karadag F, Mamedov A, Zakharov GA (2004) Phys Solid State 46(9):1717.
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333. Zhao Q, Yan Z, Chen C, Chen J (2017) Chem Rev 117(15):10121. https://doi.org/10.1021/
acs.chemrev.7b00051. http://pubs.acs.org/doi/10.1021/acs.chemrev.7b00051
334. Zasada F, Piskorz W, Stelmachowski P, Kotarba A, Paul JF, Płoci´ nski T, Kurzydłowski KJ,
Sojka Z (2011) J Phys Chem C 115(14):6423. https://doi.org/10.1021/jp200581s
335. Lazzeri M, Thibaudeau P (2006) Phys Rev B Condens Matter Mater Phys 74(14):140301.
https://doi.org/10.1103/PhysRevB.74.140301. https://link.aps.org/doi/10.1103/PhysRevB.
74.140301
336. Fang CM, de Wijs GA, Loong CK, de With G (2007) J Mater Chem 17(46):4908. https://doi.
org/10.1039/b706814j. http://xlink.rsc.org/?DOI=b706814j
337. López-Moreno S, Romero AH, Rodríguez-Hernandez P, Muñoz A (2009) High Press
Res 29(4):573. https://doi.org/10.1080/08957950903474635. http://www.tandfonline.com/
doi/abs/10.1080/08957950903474635
338. Ono S, Brodholt JP, Price GD (2008) Phys Chem Miner 35(7):381. https://doi.org/10.1007/
s00269-008-0231-9. http://link.springer.com/10.1007/s00269-008-0231-9