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Density-functional theory guided advances in phase-change materials and memories

  • Wei Zhang (a1), Volker L. Deringer (a2), Richard Dronskowski (a3), Riccardo Mazzarello (a4), Evan Ma (a5) and Matthias Wuttig (a6)...
Abstract

Phase-change materials (PCMs) are promising candidates for novel data-storage and memory applications. They encode digital information by exploiting the optical and electronic contrast between amorphous and crystalline states. Rapid and reversible switching between the two states can be induced by voltage or laser pulses. Here, we review how density-functional theory (DFT) is advancing our understanding of PCMs. We describe key DFT insights into structural, electronic, and bonding properties of PCMs and into technologically relevant processes such as fast crystallization and relaxation of the amorphous state. We also comment on the leading role played by predictive DFT simulations in new potential applications of PCMs, including topological properties, switching between different topological states, and magnetic properties of doped PCMs. Such DFT-based approaches are also projected to be powerful in guiding advances in other materials-science fields.

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COPYRIGHT: © Materials Research Society 2015 
References
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1.Wuttig, M., Yamada, N., Nat. Mater. 6, 824 (2007).
2.Siegrist, T., Merkelbach, P., Wuttig, M., Annu. Rev. Condens. Matter Phys. 3, 215 (2012).
3.Raoux, S., Xiong, F., Wuttig, M., Pop, E., MRS Bull. 39, 703 (2014).
4.Elliott, S.R., Int. J. Appl. Glass Sci. 6, 15 (2015).
5.Lankhorst, M.H., Ketelaars, B.W., Wolters, R.A., Nat. Mater. 4, 347 (2005).
6.Martin, R.M., Electronic Structure: Basic Theory and Practical Methods (Cambridge University Press, Cambridge, UK, 2004).
7.Marx, D., Hutter, J., Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Cambridge University Press, Cambridge, UK, 2009).
8.Deringer, V.L., Dronskowski, R., Wuttig, M., Adv. Funct. Mater., published online June 10, 2015, http://dx.doi.org/10.1002/adfm.201500826.
9.Shportko, K., Kremers, S., Woda, M., Lencer, D., Robertson, J., Wuttig, M., Nat. Mater. 7, 653 (2008).
10.Lencer, D., Salinga, M., Grabowski, B., Hickel, T., Neugebauer, J., Wuttig, M., Nat. Mater. 7, 972 (2008).
11.Huang, B., Robertson, J., Phys. Rev. B 81, 081204(R) (2010).
12.Caravati, S., Bernasconi, M., Parrinello, M., J. Phys. Condens. Matter 22, 315801 (2010).
13.Yamada, N., MRS Bull. 21, 48 (1996).
14.Matsunaga, T., Yamada, N., Phys. Rev. B 69, 104111 (2004).
15.Wuttig, M., Lusebrink, D., Wamwangi, D., Welnic, W., Gillessen, M., Dronskowski, R., Nat. Mater. 6, 122 (2007).
16.Dronskowski, R., Blöchl, P.E., J. Phys. Chem. 97, 8617 (1993).
17.Waghmare, U.V., Spaldin, N.A., Kandpal, H.C., Seshadri, R., Phys. Rev. B 67, 125111 (2003).
18.Stoffel, R.P., Deringer, V.L., Simon, R.E., Hermann, R.P., Dronskowski, R., J. Phys. Condens. Matter 27, 085402 (2015).
19.Siegrist, T., Jost, P., Volker, H., Woda, M., Merkelbach, P., Schlockermann, C., Wuttig, M., Nat. Mater. 10, 202 (2011).
20.Edwards, A., Pineda, A., Schultz, P., Martin, M., Thompson, A., Hjalmarson, H., Umrigar, C., Phys. Rev. B 73, 045210 (2006).
21.Caravati, S., Bernasconi, M., Kühne, T.D., Krack, M., Parrinello, M., J. Phys. Condens. Matter 21, 255501 (2009).
22.Volker, H., Jost, P., Wuttig, M., Adv. Funct. Mater., published online June 10, 2015, http://dx.doi.org/10.1002/adfm.201500830.
23.Zhang, W., Thiess, A., Zalden, P., Zeller, R., Dederichs, P.H., Raty, J.Y., Wuttig, M., Blügel, S., Mazzarello, R., Nat. Mater. 11, 952 (2012).
24.Caravati, S., Bernasconi, M., Kühne, T.D., Krack, M., Parrinello, M., Appl. Phys. Lett. 91, 171906 (2007).
25.Akola, J., Jones, R., Phys. Rev. B 76, 235201 (2007).
26.Hegedüs, J., Elliott, S.R., Nat. Mater. 7, 399 (2008).
27.Akola, J., Jones, R., Phys. Rev. B 79, 134118 (2009).
28.Xu, M., Cheng, Y.Q., Wang, L., Sheng, H.W., Meng, Y., Yang, W.G., Han, X.D., Ma, E., Proc. Natl. Acad. Sci. U.S.A. 109, E1055 (2012).
29.Kolobov, A.V., Fons, P., Frenkel, A.I., Ankudinov, A.L., Tominaga, J., Uruga, T., Nat. Mater. 3, 703 (2004).
30.Xu, M., Cheng, Y., Sheng, H., Ma, E., Phys. Rev. Lett. 103, 195502 (2009).
31.Mazzarello, R., Caravati, S., Angioletti-Uberti, S., Bernasconi, M., Parrinello, M., Phys. Rev. Lett. 104, 085503 (2010).
32.Micoulaut, M., Raty, J.Y., Otjacques, C., Bichara, C., Phys. Rev. B 81, 174206 (2010).
33.Cho, E., Im, J., Park, C., Son, W.J., Kim, D.H., Horii, H., Ihm, J., Han, S., J. Phys. Condens. Matter 22, 205504 (2010).
34.Cai, B., Drabold, D.A., Elliott, S.R., Appl. Phys. Lett. 97, 191908 (2010).
35.Kolobov, A.V., Krbal, M., Fons, P., Tominaga, J., Uruga, T., Nat. Chem. 3, 311 (2011).
36.Li, X.-B., Liu, X.Q., Liu, X., Han, D., Zhang, Z., Han, X.D., Sun, H.-B., Zhang, S.B., Phys. Rev. Lett. 107, 015501 (2011).
37.Micoulaut, M., Kachmar, A., Charpentier, T., Phys. Status Solidi B 249, 1890 (2012).
38.Krbal, M., Kolobov, A.V., Fons, P., Mitrofanov, K.V., Tamenori, Y., Hegedüs, J., Elliott, S.R., Tominaga, J., Appl. Phys. Lett. 102, 111904 (2013).
39.Mitrofanov, K.V., Kolobov, A.V., Fons, P., Wang, X., Tominaga, J., Tamenori, Y., Uruga, T., Ciocchini, N., Ielmini, D., J. Appl. Phys. 115, 173501 (2014).
40.Deringer, V.L., Zhang, W., Lumeij, M., Maintz, S., Wuttig, M., Mazzarello, R., Dronskowski, R., Angew. Chem. Int. Ed. 53, 10817 (2014).
41.Deringer, V.L., Tchougréeff, A.L., Dronskowski, R., J. Phys. Chem. A 115, 5461 (2011).
42.Maintz, S., Deringer, V.L., Tchougréeff, A.L., Dronskowski, R., J. Comput. Chem. 34, 2557 (2013).
43.Raty, J.-Y., Zhang, W., Luckas, J., Chen, C., Bichara, C., Mazzarello, R., Wuttig, M., Nat. Commun. 6, 7467 (2015).
44.Wong, H.-S. P., Raoux, S., Kim, S.B., Liang, J., Reifenberg, J.P., Rajendran, B., Asheghi, M., Goodson, K.E., Proc. IEEE 98, 2201 (2010).
45.Ielmini, D., Lacaita, A.L., Mantegazza, D., IEEE Trans. Electron Devices 54, 308 (2007).
46.Fantini, P., Brazzelli, S., Cazzini, E., Mani, A., Appl. Phys. Lett. 100, 013505 (2012).
47.Krebs, D., Bachmann, T., Jonnalagadda, P., Dellmann, L., Raoux, S., New J. Phys. 16, 043015 (2014).
48.Kalikka, J., Akola, J., Jones, R.O., Phys. Rev. B 90, 184109 (2014).
49.Zhang, W., Ronneberger, I., Zalden, P., Xu, M., Salinga, M., Wuttig, M., Mazzarello, R., Sci. Rep. 4, 6529 (2014).
50.Meinders, E.R., Mijiritskii, A.V., van Pieterson, L., Wuttig, M., Optical Data Storage: Phase-Change Media and Recording (Springer, Dordrecht, The Netherlands, 2006).
51.Lee, T.H., Elliott, S.R., Phys. Rev. Lett. 107, 145702 (2011).
52.Kalikka, J., Akola, J., Larrucea, J., Jones, R.O., Phys. Rev. B 86, 144113 (2012).
53.Ronneberger, I., Zhang, W., Eshet, H., Mazzarello, R., Adv. Funct. Mater., published online May 5, 2015, http://dx.doi.org/10.1002/adfm.201500849.
54.Laio, A., Parrinello, M., Proc. Natl. Acad. Sci. U.S.A. 99, 12562 (2002).
55.Sebastian, A., Le Gallo, M., Krebs, D., Nat. Commun. 5, 4314 (2014).
56.Orava, J., Greer, A.L., Gholipour, B., Hewak, D.W., Smith, C.E., Nat. Mater. 11, 279 (2012).
57.Jeyasingh, R., Fong, S.W., Lee, J., Li, Z., Chang, K.W., Mantegazza, D., Asheghi, M., Goodson, K.E., Wong, H.S., Nano Lett. 14, 3419 (2014).
58.Sun, Z., Zhou, J., Ahuja, R., Phys. Rev. Lett. 96, 055507 (2006).
59.Da Silva, J., Walsh, A., Lee, H., Phys. Rev. B 78, 224111 (2008).
60.Pauly, C., Liebmann, M., Giussani, A., Kellner, J., Just, S., Sánchez-Barriga, J., Rienks, E., Rader, O., Calarco, R., Bihlmayer, G., Morgenstern, M., Appl. Phys. Lett. 103, 243109 (2013).
61.Loke, D., Lee, T.H., Wang, W.J., Shi, L.P., Zhao, R., Yeo, Y.C., Chong, T.C., Elliott, S.R., Science 336, 1566 (2012).
62.Sosso, G.C., Miceli, G., Caravati, S., Behler, J., Bernasconi, M., Phys. Rev. B 85, 174103 (2012).
63.Sosso, G., Miceli, G., Caravati, S., Giberti, F., Behler, J., Bernasconi, M., J. Phys. Chem. Lett. 4, 4241 (2013).
64.Sosso, G., Colombo, J., Behler, J., Del Gado, E., Bernasconi, M., J. Phys. Chem. B 118, 13621 (2014).
65.Matsunaga, T., Akola, J., Kohara, S., Honma, T., Kobayashi, K., Ikenaga, E., Jones, R.O., Yamada, N., Takata, M., Kojima, R., Nat. Mater. 10, 129 (2011).
66.Salinga, M., Carria, E., Kaldenbach, A., Bornhofft, M., Benke, J., Mayer, J., Wuttig, M., Nat. Commun. 4, 2371 (2013).
67.Debenedetti, P.G., Stillinger, F.H., Nature 410, 259 (2001).
68.Zhang, H., Liu, C.-X., Qi, X.-L., Dai, X., Fang, Z., Zhang, S.-C., Nat. Phys. 5, 438 (2009).
69.Hasan, M.Z., Kane, C.L., Rev. Mod. Phys. 82, 3045 (2010).
70.Kim, J., Kim, J., Jhi, S.-H., Phys. Rev. B 82, 201312(R) (2010).
71.Simpson, R.E., Fons, P., Kolobov, A.V., Fukaya, T., Krbal, M., Yagi, T., Tominaga, J., Nat. Nanotechnol. 6, 501 (2011).
72.Tominaga, J., Kolobov, A.V., Fons, P., Nakano, T., Murakami, S., Adv. Mater. Interfaces 1, 1300027 (2014).
73.Sa, B., Zhou, J., Sun, Z., Tominaga, J., Ahuja, R., Phys. Rev. Lett. 109, 096802 (2012).
74.Prasai, B., Kordesch, M.E., Drabold, D.A., Chen, G., Phys. Status Solidi B 250, 1785 (2013).
75.Skelton, J.M., Pallipurath, A.R., Lee, T.-H., Elliott, S.R., Adv. Funct. Mater. 24, 7291 (2014).
76.Zhu, M., Xia, M., Rao, F., Li, X., Wu, L., Ji, X., Lv, S., Song, Z., Feng, S., Sun, H., Zhang, S., Nat. Commun. 5, 4086 (2014).
77.Song, W.-D., Shi, L.-P., Miao, X.-S., Chong, C.-T., Adv. Mater. 20, 2394 (2008).
78.Ding, D., Bai, K., Song, W.D., Shi, L.P., Zhao, R., Ji, R., Sullivan, M., Wu, P., Phys. Rev. B 84, 214416 (2011).
79.Zhang, W., Ronneberger, I., Li, Y., Mazzarello, R., Adv. Mater. 24, 4387 (2012).
80.Skelton, J.M., Elliott, S.R., J. Phys. Condens. Matter 25, 205801 (2013).
81.Greer, A.L., Nat. Mater. 14, 542 (2015).
82.Novoselov, K.S., Fal’ko, V.I., Colombo, L., Gellert, P.R., Schwab, M.G., Kim, K., Nature 490, 192 (2012).
83.Wang, Q.H., Kalantar-Zadeh, K., Kis, A., Coleman, J.N., Strano, M.S., Nat. Nanotechnol. 7, 699 (2012).
84.Hickel, T., Dick, A., Grabowski, B., Körmann, F., Neugebauer, J., Steel Res. Int. 80, 4 (2010).
85.Nomura, K., Ohta, H., Takagi, A., Kamiya, T., Hirano, M., Hosono, H., Nature 432, 488 (2004).
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