The ternary system Au-Ba-Si: Clathrate solution, electronic structure, physical properties, phase equilibria and crystal structures

Acta Materialia

Volumn 60, Issue 5, 2012, Pages 2324-2336

  Zeiringer, I ^a   Chen, Mingxing ^a   Grytsiv, A ^a   Bauer, E ^b   Podloucky, R ^a   Effenberger, H ^a   Rogl, P ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Crystal structure; Density functional; Electronic structure; Transport properties; X ray diffraction

Indexed keywords

CRYSTALLOGRAPHIC DATA; DENSITY FUNCTIONAL; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRICAL RESISTIVITY; ELECTRONIC STRUCTURE CALCULATIONS; GOLD ATOMS; HOMOGENEITY REGIONS; METAL-TO-INSULATOR TRANSITIONS; PHASE RELATION; RANDOM MIXTURES; SI ATOMS; SINGLE CRYSTAL X-RAY DATA; SITE PREFERENCES; SPACE GROUPS; STRUCTURE TYPE; TEMPERATURE DEPENDENT; TERNARY COMPOUNDS; TERNARY PHASIS; THERMAL TRANSPORT; X-RAY REFINEMENT;

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; GERMANIUM; GOLD; HYDRATES; PHASE EQUILIBRIA; SILICON; SINGLE CRYSTALS; SOLID SOLUTIONS; TERNARY ALLOYS; TERNARY SYSTEMS; TRANSPORT PROPERTIES; X RAY DIFFRACTION; X RAY POWDER DIFFRACTION;

SILICON WAFERS;

EID: 84863229586     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2011.12.040     Document Type: Article

References (32)

1. H. Kawai, H.O. Horie, S. Yamanaka, and M. Ishikawa Phys Rev Lett 74 1995 1427
2. S. Yamanaka, E. Enishi, H. Fukuoka, and M. Yasukawa Inorg Chem 39 2000 56
3. G.S. Nolas, G.A. Slack, and S.B. Schujman Semiconductors and semimetals vol. 69 2000 Academic Press New York 255
4. P. Rogl Thermoelectrics handbook: macro to nano vol. 2 2006 Taylor and Francis London 32
5. N. Jaussaud, P. Gravereau, S. Pechev, B. Chevalier, M. Menetrier, and P. Dordor CR Chim 8 2005 39
6. G. Cordier, and P. Woll J Less-Common Met 169 1991 291
7. R.F.W. Herrmann, K. Tanigaki, S. Kuroshima, and H. Suematsu Chem Phys Lett 283 1998 29
8. R.F.W. Herrmann, K. Tanigaki, T. Kawaguchi, S. Kuroshima, and O. Zhou Phys Rev B 60 1998 13245
9. J.S. Tse, T. Itaka, T. Kume, H. Shimizu, K. Parlinski, and H. Fukuoka Phys Rev B 72 2005 155441
10. T. Kume, T. Fukushima, S. Sasaki, H. Shimizu, H. Fukuoka, and S. Yamanaka Phys Status Solidi B 244 1 2007 352
11. Takahashi S, Fukuoka H, Yamanaka S, Chen X. Nippon Kagakkai Koen Yokoshu 2001; 79: 268.
12. N. Melnychenko-Koblyuk, A. Grytsiv, S. Berger, H. Kaldarar, H. Michor, and F. Röhrbacher J Phys Condens Matter 19 2007 046203
13. N. Melnychenko-Koblyuk, A. Grytsiv, G. Giester, E. Bauer, P. Rogl, and M. Rotter Phys Rev B 76 2007 195124
14. G. Kresse, and J. Furthmüller Phys Rev B 54 1996 11169
15. G. Kresse, and J. Furthmüller J Comput Mater Sci 6 1996 15
16. J.P. Perdew, K. Burke, and M. Ernzerhof Phys Rev Lett 77 1996 3865
17. P.E. Blöchl Phys Rev B 50 1994 17953
18. G. Kresse, and D. Joubert Phys Rev B 59 1999 1758
19. I. Zeiringer, M.X. Chen, I. Bednar, E. Royanian, E. Bauer, and R. Podloucky Acta Mater 59 2011 2368
20. T.B. Massalski Binary alloy phase diagrams 2nd ed. 1990 ASM International Materials Park, OH
21. I. Zeiringer, N. Melnychenko-Koblyuk, A. Grytsiv, E. Bauer, G. Giester, and P. Rogl J Phase Equilib Diff 32 2 2011 115
22. H. Zhang, H. Borrmann, N. Oeschler, Ch Candolfi, W. Schnelle, and M. Schmidt Inorg Chem 50 2011 1250
23. J. Callaway Phys Rev 122 1961 787
24. D. Cahill, and R. Pohl Solid State Commun 70 1989 927
25. M. Falmbigl, G. Rogl, P. Rogl, M. Kriegisch, H. Müller, and E. Bauer J Appl Phys 108 2010 043529
26. Berger St. Novel thermoelectric materials. PhD thesis, University of Technology, Vienna; 2003.
27. F.J. Blatt Physics of electronic conduction in solids 1968 McGraw-Hill New York p. 210
28. H.J. Goldsmid, and J.W. Sharp J Electron Mater 28 1999 7
29. Bruzzone G, Bonino GB. Atti della Accademica Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; 1970. p. 235.
30. Palenzona A, Bonino GB. Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti 1967; 42: 504.
31. S. Yamanaka, E. Enishi, H.H. Fukuoke, and M. Yasukawa Inorg Chem 39 2000 56
32. M.L. Gelato, and E. Parthe J Appl Cryst 20 1987 139