Calculations and Analysis of the Electronic Structures of Transition-Metal Phosphosilicides Cu4SiP8, IrSi3P3, CoSi3P3, and FeSi4P4

Journal of Solid State Chemistry

Volumn 147, Issue 1, 1999, Pages 11-18

  Lee, K S ^a   Koo, H J ^b   Ren, J ^b   Whangbo, M H ^b  

^a The Catholic University of Korea   (South Korea)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0008865676     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1006/jssc.1999.8142     Document Type: Article

References (28)

1. Palmer W. G. A History of the Concept of Valency to 1930. 1965;Cambridge Univ. Press, Cambridge.
2. Pauling L. The Nature of the Chemical Bond. 1940;Cornell University Press, New York.
3. Paradis J. A., Whangbo M.-H., Kasowski R. V. New J. Chem. 17:1993;525.
4. Pöttgen R., Eberl T., Evers C. B. H., Jeitschko W. J. Solid State Chem. 114:1995;66.
5. Kaiser P., Jeitschko W. Z. Anorg. Allg. Chem. 622:1996;53.
6. Llunell M., Alvarez S., Alemany P., Hoffmann R. Inorg. Chem. 35:1996;4683.
7. C. Wang, R. C. Haushalter, and, M.-H. Whangbo, Inorg. Chem, in press.
8. K.-S. Lee, H.-J. Koo, D. Dai, J. Ren, and, M.-H. Whangbo, Inorg. Chem, in press.
9. Zintl E., Woltersdorf G. Z. Elektrochem. 41:1935;876.
10. Zintl E. Angew. Chem. 52:1939;1.
11. Klemm W. Proc. Chem. Soc. (London). 1958;329.
12. Schäfer H., Eisenmann B., Müller W. Angew. Chem. Int. Ed. Engl. 12:1973;694.
13. Corbett J. D. Chem. Rev. 85:1985;383.
14. Nesper R. Prog. Solid State Chem. 20:1990;1.
15. Kauzlarich S. M. Chemistry Structure and Bonding of Zintl Phases and Ions. 1996;VCH, Weinheim.
16. Kirschen M., Vincent H., Perrier Ch., Chaudouât P., Chenevier B., Madar R. Mater. Res. Bull. 30:1995;507.
17. Vincent H., Kreisel J., Perrier Ch., Chaix-Pluchery O., Chaudouât P., Madar R. J. Solid State Chem. 124:1996;366.
18. Perrier Ch., Vincent H., Chaudouât P., Chenevier B., Madar R. Mater. Res. Bull. 30:1995;357.
19. Whangbo M.-H., Hoffmann R. J. Am. Chem. Soc. 100:1978;6093.
20. Our calculations were carried out by employing the, CAESAR, program package (J. Ren, W. Liang, and M.-H. Whangbo, "Crystal and Electronic Structure Analysis Using CAESAR," 1998). This book can be downloaded free of charge from the website, http://www.primec.com/.
21. Clementi E., Roetti C. At. Data Nucl. Data Tables. 14:1974;177.
22. McLean A. D., McLean R. S. At. Data Nucl. Data Tables. 26:1981;197.
23. Albright T. A., Burdett J. K., Whangbo M.-H. Orbital Interactions in Chemistry. 1985;Wiley, New York.
24. Albright T. A., Burdett J. K., Whangbo M.-H. Orbital Interactions in Chemistry. 1985;Wiley, New York.
25. Wallinda J., Jeitschko W. J. Solid State Chem. 114:1995;476.
26. Perrier Ch., Kirschen M., Vincent H., Gottlieb U., Chenevier B., Madar R. J. Solid State Chem. 133:1997;473.
27. Ashcroft N. W., Mermin N. D. Solid State Physics. 1976;Holt, Rinehart, and Winston, New York.
28. H.-J. Koo, and, M.-H. Whangbo, Inorg. Chem, in press.