First-principles study of structural phase transitions in CsSnI3

Journal of Applied Physics

Volumn 114, Issue 16, 2013, Pages

  Yu, Chonglong ^a,b   Ren, Yuhang ^b,c   Chen, Zhuo ^a,b   Shum, Kai ^a,b  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

^c CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CS ATOMS; FIRST-PRINCIPLES STUDY; GROUND-STATE ENERGIES; INTERMEDIATE STATE; SEMICONDUCTOR COMPOUNDS; STRUCTURAL PHASE TRANSITION; SYNTHETIC PATHWAYS; ZERO TEMPERATURES;

PHYSICAL PROPERTIES; PHYSICS;

OPTOELECTRONIC DEVICES;

EID: 84887281565     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4826068     Document Type: Article

References (23)

1. R. E. Newnham and G. R. Ruschau, J. Am. Ceram. Soc. 74, 463 (1991). 10.1111/j.1151-2916.1991.tb04047.x
2. A. E. Ringwood, J. Geophys. Res. 67, 4005, doi: 10.1029/JZ067i010p04005 (1962).
3. K. Shum, Z. Chen, J. Qureshi, C. Yu, J. J. Wang, W. Pfenninger, N. Vockic, J. Midgley, and J. T. Kenney, Appl. Phys. Lett. 96, 221903 (2010). 10.1063/1.3442511
4. Z. Chen, C. Yu, K. Shum, J. J. Wang, W. Pfenninger, N. Vockic, J. Midgley, and J. T. Kenney, J. Lumin. 132, 345 (2012). 10.1016/j.jlumin.2011.09. 006
5. C. Yu, Z. Chen, J. J. Wang, W. Pfenninger, N. Vockic, J. T. Kenney, and K. Shum, J. Appl. Phys. 110, 063526 (2011). 10.1063/1.3638699
6. C. Yu, Z. Chen, and K. Shum, J. Raman Spectrosc. 44, 262 (2013). 10.1002/jrs.4180
7. I. Chung, B. Lee, J. He, R. P. H. Chang, and M. G. Kanatzidis, Nature 485, 486 (2012). 10.1038/nature11067
8. I. Chung, J.-H. Song, J. Im, J. Androulakis, C. D. Malliakas, H. Li, A. J. Freeman, J. T. Kenney, and M. G. Kanatzidis, J. Am. Chem. Soc. 134, 8579 (2012). 10.1021/ja301539s
9. Z. Chen, J. J. Wang, Y. Ren, C. Yu, and K. Shum, Appl. Phys. Lett. 101, 093901 (2012). 10.1063/1.4748888
10. J. H. Heo, S. H. Im, J. H. Noh, T. N. Mandal, C.-S. Lim, J. A. Chang, Y. H. Lee, H.-j. Kim, A. Sarkar, M. K. Nazeeruddin, M. Gratzel, and S. I. Seok, Nat. Photonics 7, 486 (2013). 10.1038/nphoton.2013.80
11. K. Yang, W. Setyawan, S. Wang, M. B. Nardelli, and S. Curtarolo, Nat. Mater. 11, 614 (2012). 10.1038/nmat3332
12. H. Jin, J. Im, and A. J. Freeman, Phys. Rev. B 86, 121102 (2012). 10.1103/PhysRevB.86.121102
13. K. Yamada, S. Funabiki, H. Horimoto, T. Matsui, T. Okuda, and S. Ichiba, Chem. Lett. 20, 801 (1991). 10.1246/cl.1991.801
14. S.-H. Shim, R. Jeanloz, and T. S. Duffy, Geophys. Res. Lett. 29, 2166, doi: 10.1029/2002GL016148 (2002).
15. R. Ali and M. Yashima, J. Solid State Chem. 178, 2867 (2005). 10.1016/j.jssc.2005.06.027
16. M. D. Peel, S. P. Thompson, A. Daoud-Aladine, S. E. Ashbrook, and P. Lightfoot, Inorg. Chem. 51, 6876 (2012). 10.1021/ic3006585
17. P. Li, S. Ouyang, G. Xi, T. Kako, and J. Ye, J. Phys. Chem. C 116, 7621 (2012). 10.1021/jp210106b
18. F. Blanc, D. S. Middlemiss, L. Buannic, J. L. Palumbo, I. Farnan, and C. P. Grey, Solid State Nucl. Magn. Reson. 42, 87 (2012). 10.1016/j.ssnmr.2012.01. 003
19. M. N. Iliev, M. V. Abrashev, H. G. Lee, V. N. Popov, Y. Y. Sun, C. Thomsen, R. L. Meng, and C. W. Chu, Phys. Rev. B 57, 2872 (1998). 10.1103/PhysRevB.57.2872
20. I. Borriello, G. Cantele, and D. Ninno, Phys. Rev. B 77, 235214 (2008). 10.1103/PhysRevB.77.235214
21. S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. J. Probert, K. Refson, and M. C. Payne, Z. Kristallogr. 220, 567 (2005). 10.1524/zkri.220.5. 567.65075
22. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). 10.1103/PhysRevB.43.1993
23. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188