Theoretical or Mathematical/ ab initio calculations; amorphous state; antimony compounds; germanium compounds; molecular dynamics method; phase change materials; phase diagrams; shear modulus/ Maxwell rigidity; nonvolatile memory devices; phase-change random access memories; first-principles molecular-dynamics simulations; phase diagram; amorphous phase-change materials; GeSbTe/ A8140J Elasticity and anelasticity A6220D Elasticity, elastic constants A8130D Phase diagrams of other materials A6140 Structure of amorphous, disordered and polymeric materials A6185 Modelling and computer simulation of solid structure/ GeSbTe/ss Ge/ss Sb/ss Te/ss
Abstract :
[en] Phase-change materials (PCMs) are the subject of considerable interest because they have been recognized as potential active layers for nonvolatile memory devices, known as phase-change random access memories. By analyzing first-principles molecular-dynamics simulations we develop a method for the enumeration of mechanical constraints in the amorphous phase and show that the phase diagram of the most popular system (Ge-Sb-Te) can be split into two compositional regions having a well-defined mechanical character: a tellurium rich flexible phase and a stressed rigid phase that encompasses the known PCMs. This sound atomic scale insight should open new avenues for the understanding of PCMs and other complex amorphous materials from the viewpoint of rigidity.
Disciplines :
Physics
Author, co-author :
Micoulaut, M.
Raty, Jean-Yves ; Université de Liège - ULiège > Département de physique > Physique de la matière condensée
Otjacques, C.
Bichara, C.
Language :
English
Title :
Understanding amorphous phase-change materials from the viewpoint of Maxwell rigidity
Publication date :
2010
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
American Physical Society, Woodbury, United States - New York
S. Ovshinsky, Phys. Rev. Lett. 21, 1450 (1968). 10.1103/PhysRevLett.21. 1450
M. Wuttig and N. Yamada, Nature Mater. 6, 824 (2007). 10.1038/nmat2009
Phase Change Materials: Science And Applications, edited by, S. Raoux, and, M. Wuttig, (Springer, New York, 2008).
D. Lencer, M. Salinga, B. Grabowski, T. Hickel, J. Neugebauer, and M. Wuttig, Nature Mater. 7, 972 (2008). 10.1038/nmat2330
H.-Y. Cheng, C. A. Jong, R.-J. Chung, T.-S. Chin, and R.-T. Huang, Semicond. Sci. Technol. 20, 1111 (2005). 10.1088/0268-1242/20/11/002
A. V. Kolobov, P. Fons, A. I. Frenkel, A. L. Ankudinov, J. Tominaga, and T. Uruga, Nature Mater. 3, 703 (2004). 10.1038/nmat1215
W. Welnic, A. Pamungkas, R. Detemple, C. Steimer, S. Blügel, and M. Wuttig, Nature Mater. 5, 56 (2006). 10.1038/nmat1539
Rigidity Theory and Applications, edited by, M. F. Thorpe, and, P. M. Duxbury, (Kluwer Academic, Plenum Publishers, New York, 1999).
Rigidity and Boolchand Phases in Nanomaterials, edited by, M. Micoulaut, and, M. Popescu, (INOE Publishing House, Bucarest, 2009).
X. Feng, W. J. Bresser, and P. Boolchand, Phys. Rev. Lett. 78, 4422 (1997). 10.1103/PhysRevLett.78.4422
J. C. Phillips, J. Non-Cryst. Solids 34, 153 (1979) 10.1016/0022-3093(79) 90033-4
M. F. Thorpe, J. Non-Cryst. Solids 57, 355 (1983). 10.1016/0022-3093(83) 90424-6
M. Micoulaut and J. C. Phillips, Phys. Rev. B 67, 104204 (2003). 10.1103/PhysRevB.67.104204
S. Chakravarty, D. G. Georgiev, P. Boolchand, and M. Micoulaut, J. Phys.: Condens. Matter 17, L1 (2005). 10.1088/0953-8984/17/1/L01
M. Wuttig, D. Lüsebrink, D. Wamwangi, W. Welnic, M. Gillesssen, and R. Dronkowski, Nature Mater. 6, 122 (2007). 10.1038/nmat1807
C. Bichara, J. Y. Raty, and J.-P. Gaspard, Phys. Rev. B 53, 206 (1996). 10.1103/PhysRevB.53.206
J. Akola and R. O. Jones, Phys. Rev. B 76, 235201 (2007). 10.1103/PhysRevB.76.235201
S. Caravati, M. Bernasconi, T. D. Kuehne, M. Krack, and M. Parrinello, Appl. Phys. Lett. 91, 171906 (2007). 10.1063/1.2801626
C. Bichara, M. Johnson, and J.-P. Gaspard, Phys. Rev. B 75, 060201 (R) (2007). 10.1103/PhysRevB.75.060201
D. A. Baker, M. A. Paesler, G. Lucovsky, S. C. Agarwal, and P. C. Taylor, Phys. Rev. Lett. 96, 255501 (2006). 10.1103/PhysRevLett.96.255501
A. Feltz, H. Aust, and A. Blayer, J. Non-Cryst. Solids 55, 179 (1983). 10.1016/0022-3093(83)90667-1
M. Micoulaut, R. Vuilleumier, and C. Massobrio, Phys. Rev. B 79, 214205 (2009). 10.1103/PhysRevB.79.214205
R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985). 10.1103/PhysRevLett.55.2471
A. D. Becke, Phys. Rev. A 38, 3098 (1988) 10.1103/PhysRevA.38.3098
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 10.1103/PhysRevB.37.785
W. G. Hoover, Phys. Rev. A 31, 1695 (1985) 10.1103/PhysRevA.31.1695
S. Nosé, Mol. Phys. 52, 255 (1984). 10.1080/00268978400101201
G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
P. E. Blöechl, C. J. Först, and J. Schimpl, Bull. Mater. Sci. 26, 973 (2003).
D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
R. Shaltaf, E. Durgun, J.-Y. Raty, Ph. Ghosez, and X. Gonze, Phys. Rev. B 78, 205203 (2008). 10.1103/PhysRevB.78.205203
J. C. Maxwell, Philos. Mag. 27, 294 (1864).
J. L. Lagrange, Mécanique Analytique (Paris, 1788).
I. Petri, P. S. Salmon, and H. E. Fisher, Phys. Rev. Lett. 84, 2413 (2000). 10.1103/PhysRevLett.84.2413
B. Bureau, J. Troles, M. Le Floch, P. Guénot, F. Smektala, and J. Lucas, J. Non-Cryst. Solids 319, 145 (2003). 10.1016/S0022-3093(02)01911-7
S. Kohara, K. Kato, S. Kimura, H. Tanaka, T. Usuki, K. Suzuya, H. Tanaka, Y. Moritomo, T. Matsunaga, N. Yamada, Y. Tanaka, H. Suematu, and M. Takata, Appl. Phys. Lett. 89, 201910 (2006). 10.1063/1.2387870
Z. Sun, J. Zhou, and R. Ahuja, Phys. Rev. Lett. 98, 055505 (2007) 10.1103/PhysRevLett.98.055505
Z. Sun, J. Zhou, A. Blomqvist, B. Johansson, and R. Ahuja, Phys. Rev. Lett. 102, 075504 (2009). 10.1103/PhysRevLett.102.075504
Y. Maeda and M. Wakagi, Jpn. J. Appl. Phys. 30, 101 (1991). 10.1143/JJAP.30.101
J. Y. Raty, C. Otjacques, J. P. Gaspard, and C. Bichara, Solid State Sci. 12, 193 (2010). 10.1016/j.solidstatesciences.2009.06.018
D. Selvanathan, R. N. Enzweiler, W. J. Bresser, and P. Boolchand, Bull. Am. Phys. Soc. 42, 249 (1997).
P. Lebaudy, J. M. Saiter, J. Grenet, M. Belhadji, and C. Vautier, Mater. Sci. Eng., A 132, 273 (1991). 10.1016/0921-5093(91)90384-Y
A. Menelle, R. Bellissent, and A. M. Flanck, EPL 4, 705 (1987). 10.1209/0295-5075/4/6/011
W. A. Kamitakahara, R. L. Cappelletti, P. Boolchand, B. Halfpap, F. Gompf, D. A. Neumann, and H. Mutka, Phys. Rev. B 44, 94 (1991). 10.1103/PhysRevB.44.94
