First-principles simulations of local structure contrast for liquid Ge 1Sb 2Te 4, Ge 2Sb 2Te 5, and Ge 4Sb 1Te 5 alloys

Computational Materials Science

Volumn 61, Issue , 2012, Pages 287-290

  Pang, Feng Chun ^a   Wang, Dan ^a   Chen, Nian Ke ^a   Xie, Sheng Yi ^a   Meng, Xing ^a   Huo, Cheng Song ^b   Yang, Hai ^b   Su, Xiao Ping ^b   Wang, Wen Quan ^a   Tu, Hai Ling ^b  

^a JILIN UNIVERSITY   (China)

^b GENERAL RESEARCH INSTITUTE FOR NONFERROUS METALS   (China)

Author keywords

Compositional disorder number; First principles molecular dynamics; Ge Sb Te alloys; Liquid phase; Phase change memory

Indexed keywords

BOND ANGLE; BOND-ANGLE DISTRIBUTION; COMPOSITIONAL DISORDER; COUPLED STATE; DATA ENCODING; FIRST-PRINCIPLES SIMULATIONS; GE-SB-TE; INTERMEDIATE STATE; LIQUID PHASE; LOCAL STRUCTURE; MEAN SQUARE DISPLACEMENT; NON-VOLATILE; PAIR CORRELATION FUNCTIONS; PHASE CHANGES; STORAGE TECHNIQUE; TIME-SCALES;

ALLOYS; CERIUM ALLOYS; GERMANIUM; LIQUIDS; MOLECULAR DYNAMICS; PHASE CHANGE MEMORY;

ANTIMONY;

EID: 84861072781     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.04.044     Document Type: Article

References (23)

1. S.R. Ovshinsky Phys. Rev. Lett. 21 1968 1450 1453
2. N. Yamada, E. Ohno, K. Nishiuchi, N. Akahira, and M. Takao J. Appl. Phys. 69 1991 2849 2856
3. M. Wuttig Nature Mater. 4 2005 265 266
4. D. Lencer, M. Salinga, and M. Wuttig Adv. Mater. 23 2011 2030 2058
5. H.F. Hamann, M. O'Boyle, Y.C. Martin, M. Rooks, and H.K. Wickramasinghe Nature Mater. 5 2006 383 387
6. M. Wuttig, and N. Yamada Nature Mater. 6 2007 824 832
7. X.Q. Liu, X.B. Li, L. Zhang, Y.Q. Cheng, Z.G. Yan, M. Xu, X.D. Han, S.B. Zhang, and E. Ma Phys. Rev. Lett. 106 2011 025501
8. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169 11186
9. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15 50
10. J.P. Perdew, and Y. Wang Phys. Rev. B 46 1992 12947 12954
11. P.E. Blöchl Phys. Rev B 50 1994 17953 17979
12. D.M. Bylander, and L. Kleinman Phys. Rev. B 46 1992 13756 13761
13. T. Matsunaga, Y. Kubota, and N. Yamada Acta. Crstallogr. Sect. B 60 2004 685 691
14. C. Steimer, V. Coulet, W. Welnic, H. Dieker, R. Detemple, C. Bichara, B. Beuneu, J.P. Gaspard, and M. Wuttig Adv. Mater. 20 2008 4535 4540
15. X.B. Li, X.Q. Liu, X. Liu, D. Han, Z. Zhang, X.D. Han, H.B. Sun, and S.B. Zhang Phys. Rev. Lett. 107 2011 015501
16. J.Y. Raty, V.V. Godlevsky, J.P. Gaspard, C. Bichara, M. Bionducci, R. Bellissent, R. Ceolin, J.R. Chelikowsky, and P. Ghosez Phys. Rev. B 65 2002 115205
17. Z.M. Sun, J. Zhou, A. Blomqvist, L.X. Xu, and R. Ahuja J. Phys. Condens. Matter. 20 2008 205102
18. B. Cordero, V. Gómez, A.E. Platero-Prats, M. Revés, J. Echeverría, E. Cremades, F. Barragán, and S. Alvarez Dalton Trans. 21 2008 2832 2838
19. S. Caravati, M. Bernasconi, T.D. Kühne, M. Krack, and M. Parrinello Appl. Phys. Lett. 91 2007 171906
20. J. Akola, and R.O. Jones Phys. Rev. B 76 2007 235201
21. J. Akola, and R.O. Jones J. Phys.: Condens. Matter 20 2008 465103
22. M. Jain, "Ab-initio simulations for semiconductor liquids", Ph.D. thesis of University of Minnesota UMI: 3052777; 2002.
23. V. Godlevsky, "First principles simulations of liquid semiconductors: electronic, structural and dynamic properties", Ph.D. thesis of University of Minnesota UMI: 9924664; 1999.