Modeling of the electronic structure, chemical bonding, and properties of ternary silicon carbide Ti3SiC2

N. I. Medvedeva1, Andrey N. Enyashin1, A. L. Ivanovskiĭ1
1Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Ekaterinburg, Russia

Tóm tắt

Từ khóa


Tài liệu tham khảo

W. Jeitschko, H. Nowotny, and F. Benesovsy, Monatsh. Chem., 94, 672 (1963).

W. Jeitschko, H. Nowotny, and F. Benesovsy, Monatsh. Chem., 94, 844 (1963).

W. Jeitschko, H. Nowotny, and F. Benesovsy, Monatsh. Chem., 94, 1198 (1964).

W. Jeitschko, H. Nowotny, and F. Benesovsy, Monatsh. Chem., 95, 178 (1964).

W. Jeitschko, H. Nowotny, and F. Benesovsy, Monatsh. Chem., 95, 1004 (1964).

W. Jeitschko and H. Nowotny, Monatsh. Chem., 98, 329 (1967).

H. Nowotny, Prog. Solid State Chem., 5, 27 (1971).

J. J. Nickl, K. K. Schweitzer, and P. Luxenberg, J. Less Common Met., 26, 283 (1972).

T. Goto and T. Hirai, Mat. Res. Bull., 22, 1195 (1987).

M. W. Barsoum, Prog. Solid State Chem., 28, 201 (2000).

H. B. Zhang, Y. W. Bao, and Y. C. Zhou, J. Mater Sci. Technol., 25, 1 (2009).

J. Y. Wang and Y. C. Zhou, Annual Rev. Mater. Res., 39, 415 (2009).

P. Eklund, M. Beckers, U. Jansson, et al., Thin Solid Films, 518, 1851 (2010).

J. P. Palmquist, S. Li, P. O. Persson, et al., Phys. Rev., B70, 165401 (2004).

H. Hogberg, P. Eklund, J. Emmerlich, et al., J. Mater. Res., 20, 779 (2005).

S. E. Lofland, J. D. Hettinger, T. Meehan, et al., Phys. Rev., B74, 174501 (2006).

A. D. Bortolozo, Z. Fisk, O. H. Sant’Anna, et al., Physica, C469, 256 (2009).

B. Holm, R. Ahuja, S. Li, and B. Johansson, J. Appl. Phys., 91, 9874 (2002).

S. V. Halilov, D. J. Singh, and D. A. Papaconstantopoulos, Phys. Rev., B65, 174519 (2002).

I. R. Shein, V. G. Bamburov, and A. L. Ivanovskii, Dokl. Phys. Chem., 411, 317 (2006).

M. B. Kanoun, S. Goumri-Said, and A. H. Reshak, Comput. Mater. Sci., 47, 491 (2009).

Y. Medkour, A. Bouhemadou, and A. Roumili, Solid State Commun., 148, 459 (2008).

I. R. Shein and A. L. Ivanovskii, Phys. Solid State, 51, 1608 (2009).

A. L. Ivanovsky, D. L. Novikov, and G. P. Shveikin, Mendeleev Commun., No. 3, 90 (1995).

A. L. Ivanovskii and N. I. Medvedeva, Mendeleev Commun., No. 1, 36 (1999).

A. L. Ivanovskii and N. I. Medvedeva, Z. Neorg. Khim., 43, 462–428 (1998).

N. I. Medvedeva, D. L. Novikov, A. L. Ivanovsky, et al., Phys. Rev., B58, 16042 (1998).

A. L. Ivanovskii, Usp. Khim., 64, 499 (1995).

A. L. Ivanovskii, A. I. Gusev, and G. P. Shveikin, Quantum Chemistry in Materials Science. Ternary Carbides and Nitrides of Transition Metals and Elements of IIIb, IVb Subgroups [in Russian], UrO RAN, Ekaterinburg (1996).

P. Blaha, K. Schwarz, G. K. H. Madsen, et al., WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties, Vienna University of Technology, Vienna (2001).

G. Kresse and J. Furthmuller, Comput. Mater. Sci., 6, 15 (1996).

G. Kresse and J. Furthmuller, Phys. Rev., B54, 11169 (1996).

G. Kresse and D. Joubert, Phys. Rev., B59, 1758 (1999).

M. D. Segall, P. J. D. Lindan, M. J. Probert, et al., J. Phys., Condens. Matter., 14, 2717 (2002).

V. J. Keast, S. Harris, and D. K. Smith, Phys. Rev., B80, 214113 (2009).

J. Y. Wang and Y. C. Zhou, J. Phys., Condens. Matter., 15, 1983 (2003).

J. Y. Wang and Y. C. Zhou, Phys. Rev., B69, 144108 (2004).

R. Ahuja, O. Eriksson, J. M. Wills, and B. Johansson, Appl. Phys. Lett., 76, 2226 (2000).

L. Chaput, G. Hug, P. Pecheur, and H. Scherrer, Phys. Rev., B75, 035107 (2007).

Y. C. Zhou, Z. M. Sun, X. H. Wang, and S. J. Chen, J. Phys., Condens. Matter., 13, 10001 (2001).

Z. C. Wang, S. Tsukimoto, M. Saito, and Y. Ikuhara, Phys. Rev., B79, 045318 (2009).

F. D. Murnaghan, Proc. Nat. Acad. Sci. USA, 30, 244 (1944).

H. O. Pierson, Handbook of Refractory Carbides and Nitrides: Properties, Westwood, NJ.: Processing and Applications. Noyes Publ. (1996).

C. M. Fang, R. Ahuja, O. Eriksson, et al., Phys. Rev., B74, 054106 (2006).

E. Schreiber, O. L. Anderson, and N. Soga, Elastic Constants and their Measurements, McGraw-Hill, New York (1973).

M. J. Mehl, Phys. Rev., B47, 2493 (1993).

I. R. Shein, I. S. Kiiko, Yu. N. Makurin, et al., Fiz. Tverd. Tela, 49, 1015 (2007).

C. Kittel, Introduction to Solid State Physics, 5th ed., John. Wiley (1976).

M. Born and K. Huang, Dynamical Theory of Crystal Lattices, Clarendon, Oxford (1956).

W. Voigt, Lehrburch der Kristallphysik, Teubner, Leipzig (1928).

A. Reuss and Z. Angew, Math. Mech., 9, 49 (1929).

R. Hill, Proc. Phys. Soc. London, 65, 350 (1952).

S. F. Pugh, Phil. Mag., 45, 823 (1954).

P. Ravindran, L. Fast, P. A. Korzhavyi, et al., J. Appl. Phys., 84, 4891 (1998).

V. Tvergaard and J. W. Hutchinson, J. Am. Chem. Soc., 71, 157 (1998).

X. Hao, Y. Xu, Z. Wu, et al., J. Alloys Comp., 453, 413–417 (2008).

F. Peng, W. Peng, H. Fu, and X. Yang, Physica, B404, 3363 (2009).

J. Y. Wang, Y. C. Zhou, T. Liao, and Z. J. Lin, Appl. Phys. Lett., 89, 021917 (2006).

N. I. Medvedeva, D. L. Novikov, A. L. Ivanovsky, et al., Phys. Rev., B58, 16042 (1998).

Z. M. Sun and Y. C. Zhou, Phys. Rev., B60, 1441 (1999).

Y. C. Zhou and Z. M. Sun, J. Phys., Cond. Matter., 12, L457–L462 (2000).

M. Magnuson, J. P. Palmquist, M. Mattesini, et al., Phys. Rev., B72, 245101 (2005).

P. Eklund, C. Virojanadara, J. Emmerlich, et al., Phys. Rev., B74, 045417 (2006).

R. Ahuja, Z. Sun, and W. Luo, High Press. Res., 26, 127 (2006).

W. Orellana, G. Gutierrez, E. Menendez-Proupin, et al., J. Phys. Chem. Solids, 67, 2149–2153 (2006).

M. Y. Lv, Z. W. Chen, and R. P. Liu, Mater. Lett., 60, 538 (2006).

J. Y. Wang and Y. C. Zhou, J. Phys., Condens. Matter., 15, 1983 (2003).

J. P. Palmquist, S. Li, P. O. Persson, et al., Phys. Rev., B70, 165401 (2004).

J. Y. Wang and Y. C. Zhou, J Phys., Condens. Matter., 15, 5959 (2003).

X. Xu, E. Wu, X. Du, et al., J. Phys. Chem. Solids., 69, 1356 (2008).

H. Z. Zhang and S. Q. Wang, Acta Mater., 55, 4645 (2007).

L. Chaput, G. Hug, P. Pecheur, and H. Scherrer, Phys. Rev., B71, 121104R (2005).

M. W. Barsoum, L. Farber, and T. El-Raghy, Metall. Mater. Trans., A34, 1727 (1999).

M. W. Barsoum, A. Murugaiah, S. R. Kalidindi, and T. Zhen, Phys. Rev. Lett., 92, 255508 (2004).

T. Zhen, M. W. Barsoum, S. R. Kalidindi, et al., Acta Mater., 53, 4963 (2005).

Z. M. Sun, Z. F. Zhang, H. Hashimoto, and T. Abe, Mater. Trans., 43, 432 (2002).

Z. F. Zhang, Z. M. Sun, and H. Hashimoto, Mater. Lett., 57, 1295 (2003).

Z. F. Zhang, Z. M. Sun, and H. Hashimoto, Advanced Eng. Mater., 6, 980 (2004).

B. J. Kooi, R. J. Poppen, N. J. Carvalho, et al., Acta Mater., 51, 2859 (2003).

V. Vitek, Cryst. Latt. Def., 5, 1 (1974).

J. R. Rice and R. Thompson, Phil. Mag., 29, 73 (1973).

Y. Sun, J. R. Rice, and L. Trushinovsky, Mater. Res. Soc. Symp. Proc., 231, 243 (1991).

E. Kaxiras and M. S. Duesbery, Phys. Rev. Lett., 70, 3752 (1993).

M. H. Yoo and C. L. Fu, Mater. Sci. Eng., A153, 470 (1993).

N. I. Medvedeva, O. N. Mryasov, Yu. N. Gornostyrev, et al., Phys. Rev., B54, 13506 (1996).

Yu. N. Gornostyrev, M. I. Katsnelson, N. I. Medvedeva, et al., Phys. Rev., B62, 7802 (2000).

N. I. Medvedeva and A. J. Freeman, Scripta Mater., 58, 671 (2008).

N. I. Medvedeva and A. L. Ivanovskii, Deformatsiya i Razrushenie Materialov, 1, No. 1, 1 (2008).

J. R. Rice, J. Mech. Phys. Solids, 40, 239 (1992).

K. S. Chan, Metall. Mater. Trans., 34A, 2315 (2003).

A. N. Enyashin and A. L. Ivanovskii, Mater. Lett., 62, 663 (2008).

A. N. Enyashin and A. L. Ivanovskii, Theor. Exp. Chem., 45, 98 (2009).

A. L. Ivanovskii, Usp. Khim., 68, 119 (1999).

G. R. Patzke, F. Krumeich, and R. Nesper, Angew. Chem. Int. Ed., 41, 2446 (2002).

R. Tenne and G. Seifert, Annu. Rev. Mater., 39, 387–413 (2009).

R. Tenne, M. Remškar, A. N. Enyashin, and G. Seifert, Top. Appl. Phys., 11, 631–671 (2008).

G. Seifert, J. Phys. Chem., A111, 5609–5613 (2007).

A. N. Enyashin and A. L. Ivanovskii, Physica, E30, 164–168 (2005).

A. N. Enyashin and S. Gemming, Phys. Stat. Sol., B244, 3593–3600 (2007).

V. Y. Prinz, Microelect. Engin., 69, 466–475 (2003).

J. Emmerlich, H. Hogberg, S. Sasvari, et al., J. Appl. Phys., 9, 4817–4826 (2004).

H. Hogberg, L. Hultman, J. Emmerlich, et al., Surf. Sci., 62, 663–665 (2008).

T. Taguchi, H. Yamomoto, and S. Shamoto, J. Phys. Chem., C111, 18888–18891 (2007).

L. Shi, Y. Gu, L. Chen, et al., Carbon, 43, 195–213 (2005).

J. In, K. Seo, S. Lee, et al., J. Phys. Chem., C113, 12996–13001 (2009).

S. W. Pol, V. G. Pol, and A. Gedanken, Adv. Mater., 18, 2023–2027 (2006).

Z. Yang, Y. Gu, L. Chen, et al., Solid State Comm., 130, 347 (2004).