Weighted multibody expansions for computing stable structures of multiatom systems

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 6, 2008, Pages

  Sundararaghavan, Veera ^a   Zabaras, Nicholas ^a  

^a Cornell University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 38849134061     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.064101     Document Type: Article

References (27)

1. J. W. D. Connolly and A. R. Williams, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.27.5169 27, 5169 (1983).
2. J. M. Sanchez, F. Ducastelle, and D. Gratias, Physica A PHYADX 0378-4371 10.1016/0378-4371(84)90096-7 128, 334 (1984).
3. A. Zunger, in Statics and Dynamics of Alloy Phase Transformations, Vol. 319 of NATO Advanced Study Institute, Ser. B, edited by, P. Turchi, and, A. Gonis, (Plenum, New York, 1994).
4. D. de Fontaine, in Solid State Physics, edited by, H. Ehrenreich, and, D. Turnbull, (Academic Press, New York, 1994), Vol. 47, p. 33.
5. Z. W. Lu,,, S. H. Wei,,, A. Zunger,,, S. Frota-Pessoa,, and, L. G. Ferreira,, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.512 44, 512 (1991).
6. H. Y. Geng, M. H. F. Sluiter, and N. X. Chen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.012202 73, 012202 (2006).
7. A. van de Walle and G. Ceder, J. Phase Equilib. JPEQE6 1054-9714 10.1361/105497102770331596 23 (4), 348 (2002).
8. C. C. Fischer, K. J. Tibbetts, D. Morgan, and G. Ceder, Nat. Phys. ZZZZZZ 1745-2473 5, 641 (2006).
9. S. Curtarolo, D. Morgan, K. Persson, J. Rodgers, and G. Ceder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.135503 91, 135503 (2003).
10. A. E. Carlsson, in Solid State Physics edited by, H. Ehrenreich, and, D. Turnbull, (Academic, Boston, 1990), Vol. 43.
11. R. P. Gupta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.6265 23, 6265 (1981).
12. Y. Li, E. Blaisten-Barojas, and D. A. Papaconstantopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.15519 57, 15519 (1998).
13. J. N. Murrell and R. E. Mottram, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979000100411 69, 571 (1990).
14. J.-Y. Fang, R. L. Johnston, and J. N. Murrell, Mol. Phys. MOPHAM 0026-8976 78, 1405 (1993).
15. H. Cox, R. L. Johnston, and J. M. Murrell, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1999.8200 145, 517 (1999).
16. R. Drautz, M. Fahnle, and J. M. Sanchez, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/23/005 16, 3843 (2004).
17. M. Fahnle, R. Drautz, F. Lechermann, R. Singer, A. Diaz-Ortiz, and H. Dosch, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200440010 242, 1159 (2005).
18. B. Paulus, K. Rosciszewski, N. Gaston, P. Schwerdtfeger, and H. Stoll, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.165106 70, 165106 (2004).
19. N. X. Chen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.64.1193 64, 1193 (1990).
20. N. X. Chen and G. B. Ren, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.8177 45, 8177 (1992).
21. B. Paulus, Phys. Rep. PRPLCM 0370-1573 10.1016/j.physrep.2006.01.003 428, 1 (2006).
22. Computer code QHULL, http://www.qhull.org/
23. J. W. Martin, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/8/18/005 8, 2837 (1975).
24. A. P. Sutton and J. Chen, Philos. Mag. Lett. PMLEEG 0950-0839 10.1080/09500839008206493 61, 139 (1990).
25. F. H. Streitz and J. W. Mintmire, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11996 50, 11996 (1994).
26. A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.1227 41, 1227 (1990).
27. M. Methfessel and A. T. Paxton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.3616 40, 3616 (1989).