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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 690-693First-Principles Investigations of Structural...

First-Principles Investigations of Structural Stability of LuN

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Abstract:

An investigation on structural stability of LuN under high pressure has been conducted using first-principles calculations. At elevated pressures LuN is predicted to undergo a phase transition from NaCl-type structure (B1) into CsCl-type structure (B2). The predicted transition pressure is 220 GPa. The phonon dispersion curves of B1 and B2 at 0 and 220 GPa are presented.

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Periodical:

Advanced Materials Research (Volumes 690-693)

Pages:

559-563

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.690-693.559

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Online since:

May 2013

Authors:

Xiao Cui Yang, En Jie Zhang, Hong Yuan Ma, Jun Ping Xiao

Keywords:

First-Principles Calculations, High-Pressure, Structural Stability

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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[1] N. Sclar, J. Appl. Phys. 33 (1962) 2999.

[2] F. Holtzberg, T.R. McGuire, S. Methfessel, J.C. Suits, Phys. Rev. Lett. 13 (1964) 18.

[3] F. Holtzberg, T.R. Mcguire, S. Methfessel, J. Appl. Phys. 37 (1966) 976.

[4] R.F. Brown, A.W. Lawson, G.E. Everett, Phys. Rev. 172 (1968) 559.

[5] C.–G. Duan, R.F. Sabirianov, W.N. Mei, P.A. Dowben, S.S. Jaswal, E.Y. Tsymbal, J. Phys.: Condens. Matter 19 (2007) 315220.

DOI: 10.1088/0953-8984/19/31/315220

[6] C.M. Aerts, P. Strange, M. Home, W.M. Temmerman, Z. Szotek, A. Svane, Phys. Rev. B 69 (2004) 045115.

[7] P. Larson, W.R.L. Lambrecht, Phys. Rev. B 74 (2006) 085108.

[8] E. Kaldis, C. Zurcher, Helv. Phys. Acta 47 (1974) 421.

[9] P. Wachter, E. Kaldis, Solid State Commun. 34 (1980) 241.

[10] S. Clark, M. Segall, C. Pickard, P. Hasnip, K. Refson, M. Payne, Z. Kristallogr. 220 (2005) 567.

[11] N. Troulier, J.L. Martins, Phys. Rev. B 43 (1991) 1993.

[12] G.P. Francis, M.C. Payne, J. Phys.: Condens. Matter 2 (1990) 4395.

[13] L. Yang, P. Ravindran, P. Vajeeston, M. Tilset, Phys. Chem. Chem. Phys. 14 (2012) 4713.

[14] Y. Ma, A.R. Oganov, Z. Li, Y. Xie, J. Kotakoski, Phys. Rev. Lett. 102 (2009) 065501.

[15] A. Hao, Y. Zhu, J. Appl. Phys. 112 (2012) 023519.

[16] Y. Ma, M. Eremets, A. R. Oganov, Y. Xie, I. Trojan, S. Medvedev, A. O. Lyakhov, M. Vallle, and V. Prakapenka, Nature 458 (2009) 182.

DOI: 10.1038/nature07786

[17] H. Fu, D. Li, F. Peng, T. Gao, X. Cheng, Compu. Mater. Sci. 44 (2008) 774.

[18] A. Hao, T. Zhou, Y. Zhu, X. Zhang, R. Liu, Mater. Chem. Phys. 129 (2001) 99.

[19] S. Baroni, S. de Gironcoli, A.D. Corso, P. Giannozzi, Rev. Mod. Phys. 73 (2001) 515.