Electronic, optical and thermal properties of the hexagonal and rocksalt-like Ge2Sb2Te5 chalcogenide from first-principle calculations

Journal of Applied Physics

Volumn 110, Issue 6, 2011, Pages

  Tsafack, Thierry ^a   Piccinini, Enrico ^a   Lee, Bong Sub ^b,c   Pop, Eric ^b   Rudan, Massimo ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b United States of America   (United States)

^c Tessera Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION COEFFICIENTS; COMPUTATIONAL STUDIES; DENSITY OF STATE; DFT CALCULATION; ENERGY SHIFT; EXPERIMENTAL DATA; FIRST PRINCIPLE CALCULATIONS; HEXAGONAL PHASE; HIGH TEMPERATURE; LATTICE CONTRIBUTION; LOW TEMPERATURES; OPTICAL AND THERMAL PROPERTIES; TRANSPORT ANALYSIS;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXPERIMENTS; GERMANIUM; OPTICAL CONSTANTS; PHASE CHANGE MEMORY; REFRACTIVE INDEX; THERMODYNAMIC PROPERTIES;

THERMAL CONDUCTIVITY;

EID: 80053472181     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3639279     Document Type: Article

References (43)

1. F. Xiong, A. D. Liao, D. Estrada, and E. Pop, Science 332, 568 (2011). 10.1126/science.1201938
2. H.-S. P. Wong, S. Raoux, S. B. Kim, J. Liang, J. P. Reifenberg, B. Rajendran, M. Asheghi, and K. E. Goodson, Proc. IEEE 98, 2201 (2010). 10.1109/JPROC.2010.2070050
3. S. R. Ovshinsky, Phys. Rev. Lett. 21, 1450 (1968). 10.1103/PhysRevLett. 21.1450
4. I. I. Petrov, R. M. Imamov, and Z. G. Pinsker, Sov. Phys. Crystallogr. 13, 339 (1968).
5. B. J. Kooi and J. T. M. de Hosson, J. Appl. Phys., 92, 3584 (2002). 10.1063/1.1502915
6. T. Matsunaga, N. Yamada, and Y. Kabota, Acta Crystallogr. B 60, 685 (2004). 10.1107/S0108768104022906
7. A. Kolobov, P. Fons, A. I. Frenkel, A. L. Ankudinov, J. Tominaga, and T. Uruga, Nature Mat. 3, 703 (2004). 10.1038/nmat1215
8. J. Akola and R. O. Jones, Phys. Rev. B 76, 235201 (2007). 10.1103/PhysRevB.76.235201
9. S. Caravati, M. Bernasconi, T. D. Khne, M. Krack, and M. Parrinello, Appl. Phys. Lett. 91, 171906 (2006). 10.1063/1.2801626
10. B.-S. Lee, J. R. Abelson, S. G. Bishop, D.-H. Kang, B. Cheong, and K.-B. Kim, J. Appl. Phys. 97, 093509 (2005). 10.1063/1.1884248
11. K. Shportko, S. Kremers, M. Woda, D. Lencer, J. Robertson, and M. Wuttig, Nature Mat. 7, 653 (2008). 10.1038/nmat2226
12. W. Welnic, S. Botti, L. Reining, and M. Wuttig, Phys. Rev. Lett. 98, 236403 (2007). 10.1103/PhysRevLett.98.236403
13. B. Huang and J. Robertson, Phys. Rev. B 81, 081204 (R), (2010). 10.1103/PhysRevB.81.081204
14. A. Pirovano, A. L. Lacaita, A. Benvenuti, F. Pellizzer, and R. Bez, IEEE Trans. Electron Devices 51, 452 (2004). 10.1109/TED.2003.823243
15. D. Ielmini and Y. Zhang, J. Appl. Phys. 102, 054517 (2007). 10.1063/1.2773688
16. F. Buscemi, E. Piccinini, R. Brunetti, M. Rudan, and C. Jacoboni, J. Appl. Phys. 106, 103706 (2009). 10.1063/1.3259421
17. G. Lee and S.-H. Jhi, Phys. Rev. B 77, 153201 (2008). 10.1103/PhysRevB.77.153201
18. G. C. Sosso, S. Caravati, C. Gatti, A. Assoni, and M. Bernasconi, J. Phys.: Condens. Matter 21, 245401 (2009). 10.1088/0953-8984/21/24/245401
19. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009). 10.1088/0953-8984/21/39/395502
20. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). 10.1103/PhysRevB.23.5048
21. X. Gonze, R. Stumpf, and M. Scheffler, Phys. Rev. B 44, 8503 (1991). 10.1103/PhysRevB.44.8503
22. G.-S. Do, J. Kim, S -H. Jhi, S. G. Louie, and M. L. Cohen, Phys. Rev. B 82, 054121 (2010). 10.1103/PhysRevB.82.054121
23. E. van Lenthe, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 105, 6505 (1996). 10.1063/1.472460
24. Z. Sun, J. Zhou, and R. Ahuja, Phys. Rev. Lett. 96, 055507 (2006). 10.1103/PhysRevLett.96.055507
25. I. Friedrich, V. Weidenhof, W. Njoroge, P. Franz, and M. Wuttig, J. Appl. Phys. 87, 4130 (2006). 10.1063/1.373041
26. Y.-J. Park, J.-Y. Lee, M.-S. Youm, Y.-T. Kim, and H.-S. Lee, J. Appl. Phys. 97, 093506 (2005). 10.1063/1.1877821
27. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001). 10.1103/RevModPhys.73.515
28. K. Parlinski, Z. Q. Li, and Y. Kawazoe, Phys. Rev. Lett. 78, 4063 (1997). 10.1103/PhysRevLett.78.4063
29. S. Yamanaka, S. Ogawa, I. Morimoto, and Y. Ueshima, Jpn. J. Appl. Phys. 37, 3327 (1998). 10.1143/JJAP.37.3327
30. E. Piccinini, T. Tsafack, F. Buscemi, R. Brunetti, M. Rudan, C. Jacoboni, Proc. of the 2008 Int. Conf. on Simulation of Semiconductor Processes and Devices (SISPAD), 2008, p. 229.
31. J. J. Kim, K. Kobayashi, E. Ikenaga, M. Kobata, S. Ueda, T. Matsunaga, K. Kifune, R. Kojima, and N. Yamada, Phys. Rev. B 76, 115124 (2007). 10.1103/PhysRevB.76.115124
32. J. Zhou, Z. Sun, Y. Pang, Z. Song, and R. Ahuja, Eur. Phys. Lett. 95, 27002 (2011). 10.1209/0295-5075/95/27002
33. F. Gygi and A. Baldareschi, Phys. Rev. Lett. 62, 2160 (1989). 10.1103/PhysRevLett.62.2160
34. G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002). 10.1103/RevModPhys.74.601
35. J. Hegeds and S. R. Elliot, Nature Mat. 7, 399 (2008). 10.1038/nmat2157
36. B.-S. Lee and S. G. Bishop, Optical and Electrical Properties of Phase Change Materials in Phase Change Materials (Science and Applications) (Springer, New York, 2009).
37. T. S. Moss, Optical Properties of Semiconductors (Butterworths, London, 1959).
38. N. F. Mott and E. A. Davis, Electronic Processes in Non-Crystalline Materials, 2nd ed. (Clarendon, Oxford, 1979).
39. D. V. Tsu, J. Vac. Sci. Technol. A 17, 1854 (1999). 10.1116/1.581904
40. H.-K. Lyeo, D. G. Cahill, B.-S. Lee, J. R. Abelson, M -H. Kwon, K.-B. Kim, S. G. Bishop, and B. Cheong, Appl. Phys. Lett. 89, 151904 (2006). 10.1063/1.2359354
41. R. P. Reifenberg, S. Kim, A. Gibby, Y. Zhang, M. Panzer, E. Pop, S. Wong, H.-S. Wong, and K. E. Goodson, Appl. Phys. Lett. 91, 111904 (2007). 10.1063/1.2784169
42. Y. Yang, C. T. Li, S. M. Sadeghipour, H. Dieker, M. Wuttig, and M. Asheghi, J. Appl. Phys. 100, 024102 (2006). 10.1063/1.2209723
43. M. Kuwahara, O. Suzuki, Y. Yamakawa, M. Taketoshi, T. Yagi, P. Fons, T. Fukaya, J. Tominaga, and T. Baba, Jpn. J. Appl. Phys. 46, 3909 (2007). 10.1143/JJAP.46.3909