Electronic structure, chemical bonding, and properties of binary carbides MxM′yCz in the crystalline and molecular states: XES, XPS, and quantum-chemical studies

Journal of Structural Chemistry

Volumn 42, Issue 6, 2001, Pages 1002-1024

  Cherkashenko, V M ^a   Nazarova, S Z ^a   Gusev, A I ^a   Ivanovskii, A L ^a  

^a RUSSIAN ACADEMY OF SCIENCES   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0346453202     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1015017004648     Document Type: Article

References (103)

1. A. I. Goldschmidt, Interstitial Alloys, Butterworths, London (1967).
2. A. I. Gusev, A. A. Rempel, and A. J. Magerl, Disorder and Order in Strongly Nonstoichiometric Compounds: Transition Metal Carbides, Nitrides, and Oxides, Springer, Berlin (2001).
3. A. I. Gusev and A. A. Rempel, Nonstoichiometry and Disorder in Solids [in Russian], Ural Branch, Russian Academy of Sciences, Ekaterinburg (2001).
4. G. P. Shveikin, S. I. Alyamovskii, Yu. G. Zainulin, et al., Compounds of Variable Composition and Their Solid Solutions [in Russian], Ural Scientific Center, USSR Academy of Sciences, Sverdlovsk (1984).
5. T. Ya. Kosolapova (ed.), High-Melting Compounds: Properties, Syntheses, and Applications. Handbook [in Russian], Naukova Dumka, Kiev (1986).
6. A. I. Gusev, A. A. Rempel, and G. P. Shveikin, Dokl. Ross. Akad. Nauk, 357, No. 4, 490-494 (1997).
7. A. L. Ivanovskii, Usp. Khim., 64, No. 4, 499-518 (1995).
8. A. I. Gusev, ibid., 65, No. 5, 407-451 (1996).
9. A. L. Ivanovskii, ibid., 67, No. 5, 403-422 (1998).
10. A. I. Gusev, Usp. Fiz. Nauk, 170, No. 1, 3-40 (2000).
11. A. I. Gusev, Physical Chemistry of Nonstoichiometric High-Melting Compounds [in Russian], Nauka, Moscow (1991).
12. L. B. Dubrovskaya and S. Z. Nazarova, Phys. Status Solidi (a), 83, No. 1, 11-38 (1984).
13. L. B. Dubrovskaya and S. Z. Nazarova, Izv. Akad. Nauk SSSR, Ser. Neorg. Mater., 14, No. 3, 473-480 (1978).
14. D. D. Hughes and R. Jones, Appl. Phys. Lett., 36, No. 7, 856-859 (1980).
15. H. Bittner and H. Goretzki, Monatsh. Chem., 91, No. 4, 616-619 (1960).
16. S. Z. Nazarova and A. I. Gusev, Stoichiometric Solid Solutions of Niobium and Tantalum Carbides and Their Properties [in Russian], Ural Branch, USSR Academy of Sciences (1987).
17. A. I. Gusev, S. Z. Nazarova, and N. I. Kourov, Fiz. Tverd. Tela, 29, No. 6, 1879-1882 (1987).
18. S. Z. Nazarova, N. I. Kourov, and A. I. Gusev, Zh. Fiz. Khim., 62, No. 3, 606-610 (1988).
19. E. Rudy, F. Benesovsky, and K. Sedlatschek, Monatsh. Chem., 92, No. 4, 841-855 (1961).
20. V. F. Funke, I. V. Pshenichnyi, Yu. D. Loktionov, and L. A. Pliner, Izv. Akad. Nauk SSSK, Ser. Neorg. Mater., 7, No. 10, 1748-1754 (1971).
21. V. N. Eremenko, T. Ya. Velikanova, S. V. Shabanova, and L. V. Artyukh, Poroshk. Metall., No. 11, 58-62 (1973).
22. L. B. Dubrovskaya, S. Z. Nazarova, and S. S. Ordan'yan, Fiz. Met. Metalloved., 39, No. 4, 882-884 (1975).
23. L. B. Dubrovskaya and S. Z. Nazarova, Zh. Éksp. Teor. Fiz., 68, No. 1, 238-240 (1975).
24. A. A. Rempel, Usp. Fiz. Nauk, 166, No. 1, 33-62 (1996).
25. V. I. Anisimov, V. A. Antropov, V. A. Gubanov, et al., Electronic Structure of Impurities and Defects in Transition Metals and Their Alloys and Compounds [in Russian], Nauka, Moscow (1989).
26. V. A. Gubanov, A. L. Ivanovskii, and V. P. Zhukov, Electronic Structure of Refractory Carbides and Nitrides, Cambridge University Press (1994).
27. V. A. Gubanov and A. L. Ivanovskii, Density Functional Theory of Molecules, Clusters, and Solids, D. E. Ellis (ed.), Kluwer, Dordrecht (1994), pp. 223-261.
28. A. L. Ivanovskii, V. I. Anisimov, V. M. Cherkashenko, et al., Zh. Fiz. Khim., 61, No. 12, 3278-3284 (1987).
29. A. L. Ivanovskii, V. I. Anisimov, A. I. Lichtenstein, and V. A. Gubanov, J. Phys. Chem. Solids, 49, No. 5, 479-486 (1988).
30. A. L. Ivanovskii, V. I. Anisimov, and V. A. Gubanov, Metallofizika, 10, No. 2, 47-54 (1988).
31. A. L. Ivanovskii and V. A. Gubanov, ibid., 12, No. 2, 18-24 (1990).
32. A. L. Ivanovskii, V. I. Anisimov, and V. A. Gubanov, J. Phys. Chem. Solids, 50, No. 9, 883-892 (1989).
33. A. L. Ivanovskii, V. I. Anisimov, and V. A. Gubanov, Zh. Strukt. Khim., 30, No. 2, 19-24 (1989).
34. V. A. Gubanov, V. P. Zhukov, and A. L. Ivanovskii, Rev. Solid State Sci., 5, Nos. 2/3, 315-323 (1991).
35. A. L. Ivanovskii and G. P. Shveikin, Phys. Status Solidi (b), 181, No. 2, 251-289 (1994).
36. A. L. Ivanovskii, D. L. Novikov, V. I. Anisimov, and V. A. Gubanov, Metallofizika, 10, No. 1, 3-9 (1988).
37. V. A. Gubanov, A. L. Ivanovskii, G. P. Shveikin, and D. E. Ellis, J. Phys. Chem. Sol., 45, No. 7, 719-730 (1984).
38. P. Blacha, J. Redinger, and K. Schwarz, Phys. Rev. B, 31, No. 4, 2316-2325 (1985).
39. Herzig, J. Redinger, R. Eibler, and A. Neckel, J. Solid State Chem., 70, No. 2, 281-294 (1987).
40. A. L. Ivanovskii, V. P. Zhukov, and V. A. Gubanov, Electronic Structure of Refractory Transition Metal Carbides and Nitrides [in Russian], Nauka, Moscow (1990).
41. J. Haglund, G. Grimvall, T. Jarlborg, and A. F. Guillermet, Phys. Rev. B, 43, No. 18, 14400-14408 (1991).
42. A. L. Ivanovskii, A. I. Gusev, and G. P. Shveikin, Quantum Chemistry in Materials Science. Ternary Carbides and Nitrides of Subgroup IIIb and IVb Transition Metals and Elements [in Russian], Ural Branch, Russian Academy of Sciences, Ekaterinburg (1996).
43. M. V. Ryzhkov and A. L. Ivanovskii, Zh. Strukt. Khim., 40, No. 4, 630-638 (1999).
44. A. L. Ivanovskii and G. P. Shveikin, Quantum Chemistry in Materials Science, Nonmetallic Refractory Compounds and Nonmetallic Ceramics [in Russian], Ekaterinburg Publishers, Ekaterinburg (2000).
45. S. Z. Nazarova, A. L. Ivanovskii, and V. M. Cherkashenko, Zh. Strukt. Khim., 39, No. 6, 1084-1088 (1998).
46. V. V. Shumilov, S. A. Nazarova, A. I. Gusev, et al., Dokl. Akad. Nauk SSSR, 308, No. 2, 421-424 (1989).
47. K. J. Schwarz, J. Phys. C: Solid State Phys., 10, No. 2, 195-201 (1977).
48. K. J. Schwarz and A. Neckel, Phys. Chem., 79, No. 5, 1071-1077 (1975).
49. B. M. Klein, D. A. Papaconstantopolous, and L. L. Boyer, Phys. Rev., B22, No. 9, 1964-1985 (1980).
50. A. Neckel, Int. Quant. Chem., 23, No. 2, 1317-1353 (1983).
51. D. A. Papaconstantopolous, W. E. Pickett, B. M. Klein, and L. L. Boyer, Phys. Rev., B31, No. 12, 7093-7097 (1985).
52. V. F. Gubanov, A. L. Ivanovskii, and V. P. Zhukov, Electronic Properties of Refractory Carbides and Nitrides, Cambridge Academic Press (1993).
53. V. M. Cherkashenko, V. V. Shumilov, É. Z. Kurmaev, and A. A. Rempel, Zh. Neorg. Khim., 35, No. 2, 474-479 (1991).
54. A. L. Zapysov and A. S. Ganeev (eds.), X-Radiation Attenuation Constants. Handbook [in Russian], Burevestnik, Leningrad (1975).
55. R. F. Sabiryanov and A. L. Ivanovskii, Metallofizika, 14, No. 6, 7-13 (1992).
56. V. M. Cherkashenko, É. Z. Kurmaev, S. Z. Nazarova, et al., Zh. Neorg. Khim., 46, No. 6, 996-1001 (2001).
57. V. M. Cherkashenko, A. V. Ezhov, M. P. Butzman, et al., Zh. Strukt. Khim.; 25, No. 5, 55-62 (1984).
58. C. L. Ballhausen and H. B. Gray, Molecular Orbital Theory, Benjamin, New York (1964).
59. A. L. Ivanovskii, V. A. Gubanov, V. P. Zhukov, and G. P. Shveikin, Phys. Status Solidi (b), 98, No. 2, 79-86 (1980).
60. A. V. Ezhov, V. M. Cherkashenko, and É. Z. Kurmaev, Fiz. Met. Metalloved., No. 4, 47-50 (1991).
61. L. Ramquist, K. Hamrin, G. Johansson, et al., J. Phys. Chem. Sol., 30, 1835-1841 (1969).
62. L. Ramquist, K. Hamrin, G. Johansson, et al., ibid., 31, 2669-2674 (1970).
63. L. I. Johansson, A. L. Hagstrom, B. E. Jacobsson, and S. B. Hagstrom, J. Electron. Spectrosc. Rel. Phenom., 10, 259-264 (1977).
64. V. M. Cherkashenko, A. V. Ezhov, S. Z. Nazarova, et al., Zh. Strukt. Khim., 42, No. 3, 475-479 (2001).
65. V. V. Shumilov, S. Z. Nazarova, A. I. Gusev, et al., Dokl. Akad. Nauk SSSR, 308, No. 2, 421-424 (1989).
66. V. V. Shumilov, S. Z. Nazarova, V. M. Cherkashenko, et al., Izv. Akad. Nauk SSSR, Neorg. Mater., 26, No. 4, 878-879 (1990).
67. A. L. Ivanovskii, V. M. Cherkashenko, S. Z. Nazarova, and V. V. Shumilov, Fiz. Met. Metalloved., No. 12, 169-171 (1991).
68. A. L. Ivanovskii, V. I. Anisimov, and V. A. Gubanov, Metallofizika, 9, No. 3, 79-84 (1987).
69. V. A. Gubanov, A. L. Ivanovskii, and M. V. Ryzhkov, Quantum Chemistry in Materials Science [in Russian], Nauka, Moscow (1987).
70. B. C. Guo, R. P. Kerns, and A. W. Castleman, Science, 255, 1411-1413 (1992).
71. B. C. Guo, S. Wei, J. Purnell, et al., ibid., 256, 516 (1992).
72. S. Wei, B. C. Guo, J. Purnell, S. Buzza, and A. W. Castleman, J. Phys. Chem., 96, No. 11, 4166-4168 (1992).
73. T. Pradeep and P. T. Manoharan, Current Sci., 68, No. 10, 1017-1026 (1995).
74. H. T. Deng, K. P. Kern, and A. W. Castleman, J. Am. Chem. Soc., 118, No. 2, 446-450 (1996).
75. S. F. Cartier, B. D. May, and A. W. Castleman, J. Phys. Chem., 100, No. 20, 8175-8179 (1996).
76. A. W. Castleman and K. H. Bowen, ibid., 100, No. 31, 12911-12944 (1996).
77. R. Selvan and T. Pradeep, Current Sci., 74, No. 8, 666-680 (1998).
78. R. B. King, Russ. Chem. Bull., 47, No. 5, 833-840 (1998).
79. A. I. Gusev, Nanocrystalline Materials: Methods of Preparation and Properties [in Russian], Ural Branch, Russian Academy of Sciences, Ekaterinburg (1998).
80. A. I. Gusev, Usp. Fiz. Nauk, 168, No. 1, 55-83 (1998).
81. M. M. Rohmer, M. Bernard, and J. M. Poblet, Chem. Rev., 100, No. 2, 495-548 (2000).
82. I. Dance, J. Am. Chem. Soc., 118, No. 11, 2699-2707 (1996).
83. S. Li, H. B. Wu, and L. S. Wang, ibid., 119, No. 32, 7417-7422 (1997).
84. M. F. Ge, J. K. Feng, W. Q. Tian, et al., Chem. Phys. Lett., 282, No. 1, 54-58 (1998).
85. A. A. Sofronov, Yu. N. Makurin, M. V. Ryzhkov, and A. L. Ivanovskii, Koordinats. Khim., 25, No. 8, 597-603 (1999).
86. J. Munoz, M. M. Rohmer, M. Bernard, et al., J. Phys. Chem. A, 103, No. 24, 4762-4768 (1999).
87. L.-S. Wang, S. Li, and H. Wu, J. Phys. Chem., 100, No. 50, 19212-19215 (1996).
88. S. Li, H. Wu, and L.-S. Wang, J. Am. Chem. Soc., 119, No. 32, 7417-7422 (1997).
89. S. F. Cartier, B. D. May, and A. W. Castleman, J. Chem. Phys., 100, No. 7, 5384-5386 (1994).
90. H. T. Deng, B. C. Guo, K. P. Kerns, and A. W. Castleman, Int. J. Mass Spectrom. Ion Processes, 138, 275-281 (1994).
91. H. T. Deng, B. C. Guo, K. P. Kerns, and A. W. Castleman, J. Phys. Chem. A, 98, No. 50, 13373-13378 (1994).
92. A. A. Sofronov, Chemical Sciences Candidate's Dissertation, Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Ekaterinburg (2000).
93. Yu. N. Makurin, A. A. Sofronov, and A. L. Ivanovskii, Dokl. Ross. Akad. Nauk, 372, No. 3, 340-343 (2000).
94. S. F. Cartier, B. D. May, and A. W. Castleman, J. Chem. Phys., 104, No. 10, 3423-3432 (1996).
95. B. D. May, S. E. Kooi, B. J. Toleno, and A. W. Castleman, ibid., 106, No. 6, 2231-2238 (1997).
96. S. E. Kooi and A. W. Castleman, ibid., 108, No. 21, 8864-8869 (1998).
97. H. Sakurai, S. E. Kooi, and A. W. Castleman, J. Clust. Sci., 10, No. 4, 493-507 (1999).
98. J. Munoz, C. Pujol, C. Bo, et al., J. Phys. Chem. A, 101, No. 44, 8345-8350 (1997).
99. S. N. Khanna, Phys. Rev. B, 51, No. 16, 10965-10967 (1995).
100. A. L. Ivanovskii, O. Yu. Kontsevoi, V. G. Bamburov, et al., Dokl. Ross. Akad. Nauk, 363, No. 1, 68-70 (1998).
101. A. L. Ivanovskii, O. Yu. Kontsevoy, and A. N. Skazkin, Func. Mater., 5, No. 4, 525-532 (1998).
102. R. F. Sabiryanov, Physical and Mathematical Sciences' Doctoral Dissertation, Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Sverdlovsk (1992).
103. A. L. Ivanovskii, A. A. Sofronov, and Yu. N. Makurin, Teor. Éksp. Khim., 35, No. 5, 289-294 (1999).