Electron correlation effects in the MAX phase Cr2AlC from first-principles

Journal of Applied Physics

Volumn 109, Issue 6, 2011, Pages

  Du, Y L ^a,b   Sun, Z M ^a   Hashimoto, H ^a   Barsoum, M W ^c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c Drexel University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BULK MODULUS; COULOMB ENERGY; ELASTIC PROPERTIES; ELECTRON CORRELATION EFFECT; FIRST-PRINCIPLES; MAX PHASIS; QUASI-HARMONIC DEBYE MODEL; TEMPERATURE EFFECTS;

CORRELATION DETECTORS; ELECTRIC PROPERTIES; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT;

CALCULATIONS;

EID: 79953660887     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3562145     Document Type: Article

References (26)

1. M. W. Barsoum, Prog. Solid State Chem. 28, 201 (2000). 10.1016/S0079-6786(00)00006-6 (Pubitemid 32085353)
2. W. B. Tian, P. L. Wang, G. J. Zhang, Y. M. Kan, and Y. X. Li, J. Am. Ceram. Soc. 90, 1663 (2007). 10.1111/j.1551-2916.2007.01634.x (Pubitemid 46743843)
3. Z. J. Lin, M. J. Zhuo, Y. C. Zhou, M. S. Li, and J. Y. Wang, J. Appl. Phys. 99, 076109 (2006). 10.1063/1.2188074
4. Z. J. Lin, M. S. Li, J. Y. Wang, and Y. C. Zhou, Acta Mater. 55, 6182 (2007). 10.1016/j.actamat.2007.07.024 (Pubitemid 47539238)
5. Z. J. Lin, Y. C. Zhou, M. S. Li, and J. Y. Wang, Z. Metallkd. 96, 291 (2005).
6. Z. J. Lin, Y. C. Zhou, and M. S. Li, J. Mater. Sci. Technol., 23, 721 (2007).
7. Z. M. Sun, R. Ahuja, S. Li, and J. M. Schneider, Appl. Phys. Lett. 83, 899 (2003). 10.1063/1.1599038
8. Z. M. Sun, S. Li, R. Ahuja, and J. M. Schneider, Solid State Commun. 129, 589 (2004). 10.1016/j.ssc.2003.12.008
9. J. M. Schneider, D. P. Sigumonrong, D. Music, C. J. Emmerlich, R. Iskandar, and J. Mayer, Scr. Mater. 57, 1137 (2007). 10.1016/j.scriptamat.2007. 08.006 (Pubitemid 47449758)
10. B. Manoun, R. P. Gulve, S. K. Saxena, S. Gupta, M. W. Barsoum, and C. S. Zha, Phys. Rev. B 73, 024110 (2006). 10.1103/PhysRevB.73.024110 (Pubitemid 43270483)
11. S. E. Lofland, J. D. Hettinger, K. Harrell, P. Finkel, S. Gupta, M. W. Barsoum, and G. Hug, Appl. Phys. Lett. 84, 508 (2004). 10.1063/1.1641177
12. J. D. Hettinger, S. E. Lofland, P. Finkel, T. Meehan, J. Palma, K. Harrell, S. Gupta, A. Ganguly, T. El-Raghy, and M. W. Barsoum, Phys. Rev. B 72, 115120 (2005). 10.1103/PhysRevB.72.115120 (Pubitemid 43029094)
13. W.B. Tian, P.L. Wang, G.J. Zhang, Y.M. Kan, Y.X. Li, and D.S. Yan, Scr. Mater. 54, 841 (2006). 10.1016/j.scriptamat.2005.11.009 (Pubitemid 43038797)
14. J. Y. Wang, and Y. C. Zhou, Phys. Rev. B 69, 214111 (2004). 10.1103/PhysRevB.69.214111
15. W. B. Tian, P. L. Wang, G. J. Zhang, Y. M. Kan and Y. X. Li, J. Inorg. Mater. 22, 783 (2007).
16. N. J. Mosey and E. A. Carter, Phys. Rev. B 76, 155123 (2007). 10.1103/PhysRevB.76.155123
17. M. A. Korotin, V. I. Anisimov, D. I. Khomskii and G. A. Sawatzky, Phys. Rev. Lett. 80, 4305 (1998). 10.1103/PhysRevLett.80.4305
18. G. Y. Gao, K. L. Yao, Z. L. Liu, J. Zhang, X. L. Li, J. Q. Zhang, and N. Liu, J. Magn. Magn. Mater. 313, 210 (2007). 10.1016/j.jmmm.2006.12.027 (Pubitemid 46498417)
19. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, wien2k, An Augmented Plane Wave plus Local Orbitals Program for Calculating Crystal Properties, Technische Universitt Wien, Austria, 2007.
20. L. Fast, J. M. Wills, B. Johansson, and O. Eriksson, Phys. Rev. B 51, 17431 (1995). 10.1103/PhysRevB.51.17431
21. F. Jona and P. M. Marcus, Phys. Rev. B 66, 094104 (2002). 10.1103/PhysRevB.66.094104
22. K. B. Panda and K. S. R. Chandran, Comput. Mater. Sci. 35, 134 (2006). 10.1016/j.commatsci.2005.03.012 (Pubitemid 41543038)
23. R. Hill, Proc. Phys. Soc. London 65, 350 (1953).
24. J. M. Schneider, Z. M. Sun, R. Mertens, F. Uestel, and R. Ahuja, Solid State Commun. 130, 445 (2004). 10.1016/j.ssc.2004.02.047
25. M. A. Blanco, E. Francisco, and V. Luaa, Comput. Phys. Commun. 158, 57 (2004). 10.1016/j.comphy.2003.12.001
26. T. Tohei, A. Kuwabara, F. Oba, and I. Tanaka, Phys. Rev. B 73, 064304 (2006). 10.1103/PhysRevB.73.064304 (Pubitemid 43291131)