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First-principles investigation of mechanical and thermodynamic properties of nickel silicides at finite temperature ^*

DOI: 10.21883/FTT.2018.05.45875.292

Переводная версия: 10.1134/S1063783418050360

Wen Zhiqin¹, Zhao Yuhong¹, Hou Hua¹, Chen Liwen¹

¹School of Materials Science and Engineering, North University of China, Taiyuan, China

School of Materials Science and Engineering, North University of China, Taiyuan, P.R. China

Email: zhaoyuhong@nuc.edu.cn

Поступила в редакцию: 19 октября 2017 г.

Выставление онлайн: 19 апреля 2018 г.

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First-principles calculations are performed to investigate lattice parameters, elastic constants and 3D directional Young's modulus E of nickel silicides (i. e. beta-Ni₃Si, delta-Ni₂Si, theta-Ni₂Si, varepsilon-NiSi, and alpha-NiSi₂), and thermodynamic properties, such as the Debye temperature, heat capacity, volumetric thermal expansion coefficient, at finite temperature are also explored in combination with the quasi-harmonic Debye model. The calculated results are in a good agreement with available experimental and theoretical values. The five compounds demonstrate elastic anisotropy. The dependence on the direction of stiffness is the greatest for delta-Ni₂Si and theta-Ni₂Si, when the stress is applied, while that for beta-Ni₃Si is minimal. The bulk modulus B reduces with increasing temperature, implying that the resistance to volume deformation will weaken with temperature, and the capacity gradually descend for the compound sequence of beta-Ni₃Si>delta-Ni₂Si> theta-Ni₂Si>varepsilon-NiSi>alpha-NiSi₂. The temperature dependence of the Debye temperature Theta_D is related to the change of lattice parameters, and Theta_D gradually decreases for the compound sequence of varepsilon-NiSi>beta-Ni₃Si>delta-Ni₂Si >theta-Ni₂Si>alpha-NiSi₂. The volumetric thermal expansion coefficient alpha_V, isochoric heat capacity C_v and isobaric heat capacity C_p of nickel silicides are proportional to T³ at low temperature, subsequently, alpha_V and C_p show modest linear change at high temperature, whereas C_v obeys the Dulong-Petit limit. In addition, beta-Ni₃Si has the largest capability to store or release heat at high temperature. From the perspective of solid state physics, the thermodynamic properties at finite temperature can be used to guide further experimental works and design of novel nickel-silicon alloys.

L.J. Chen. Silicide technology for integrated circuits. The Institution of Electrical Engineers. London (2004)
W. Lee, J. Lee, J.D. Bae, C.S. Byun, D.K. Kim. Scripta Mater. 44, 97 (2001)
D. Ma, D.Z. Chi, M.E. Loomans, W.D. Wang, A.S.W. Wong, S.J. Chua. Acta Mater. 54, 4905 (2006)
M. Guihard, P. Turcotte-Tremblay, S. Gaudet, C. Coi a, S. Roorda, P. Desjardins, C. Lavoie, F. Schiettekatte. Nucl. Instrum. Meth. B 267, 1285 (2009)
A. Mondon, M.N. Jawaid, J. Bartsch, M. Glatthaar, S.W. Glunz. Sol. Energ. Mater. Sol. C 117, 209 (2013)
P.L. Tam, Y. Cao, U. Jelvestam, L. Nyborg. Surf. Coat. Tech. 206, 1160 (2011)
O. Cojocaru-Miredin, D. Mangelinck, D. Blavette. J. Appl. Phys. 108, 033501 (2010)
S.Yu. Turishchev, E.V. Parinova, F. Kronast, R. Ovsyannikov, N.V. Malashchenok, E.A. Streltsov, D.K. Ivanov, A.K. Fedotov. Phys. Solid State, 56, 1916 (2014)
W.H. Lee, C.S. Byun, S.H. Lee, D.K. Kim. Met. Mater. Trans. A 32, 805 (2001)
M. Beregovsky, A. Katsman, E.M. Hajaj, Y.E. Yaish. Solid-State Electron. 80, 110 (2013)
X. Fan, H. Zhang, N. Du, D. Yang. Mater. Res. Bull. 47, 3797 (2012)
X. Chen, J. Guan, G. Sha, Z. Gao, C.T. Williams, C. Liang. RSC Adv. 4, 653 (2014)
M. Seita, M. Volpi, S. Patala, I. McCue, C.A. Schuh, M.V. Diamanti, J. Erlebacher, M.J. Demkowicz. Comput. Mater. 2, 16016 (2016)
R. Tomita, H. Kimura, M. Yasuda, K. Maeda, S. Ueno, T. Tomizawa, Y. Kunimune, H. Nakamura, M. Moritoki, H. Iwai. Microelectron. Rel. 53 659 (2013)
N. Kawasaki, N. Sugiyama, Y.J. Otsuka, H. Hashimoto, M. Tsujimoto, H. Kurata, S.J. Isoda. Ultramicroscopy 108, 399 (2008)
D. Connetable, O. Thomas. J. Alloys Compd. 509, 2639 (2011)
Y. Zhao, H. Hou, Y. Zhao, P. Han. J. Alloys Comp. 640, 233 (2015)
D. Vanderbilt. Phys. Rev. B 41, 7892 (1990)
K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbil. Phys. Rev. B 47, 10142 (1993)
J.P. Perdew. Phys. Rev. B 33, 8822 (1986)
M. Segall, P.J. Lindan, M. Probert, C. Pickard, P. Hasnip, S. Clark, M. Payne. J. Phys.: Condens. Matter 14, 2717 (2002)
J.P. Perdew, K. Burke, M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996)
T.H. Fischer, J. Almlof. J. Phys. Chem. 96, 9768 (1992)
S. Lebaili, S. Hamar-Thibault. Zeitschrift fuer Metallkunde 75, 764 (1984)
Y. Cao, J. Zhu, Y. Liu, Z. Nong, Z. Lai. Comp. Mater. Sci. 69, 40 (2013)
Z. Wen, H. Hou, Y. Zhao, X. Yang, L. Fu, N. Wang, P. Han. Comp. Mater. Sci. 79, 424 (2013)
F. Bosselet, J.C. Viala, C. Colin, B.F. Mentzen. J. Bouix. Mater. Sci. Eng. A 167, 147 (1993)
K. Toman. Acta Crystallogr. 5, 329 (1952)
D.F. Wilson, O.B. Cavin. Scr. Met. Mater. 26, 85 (1992)
S.V. Prikhodko, Y. Ma, A.J. Ardell, D.G. Isaak, J.D. Carnes, S. Moser. Met. Mater. Trans. A 34, 1863 (2003)
D. Connetable, O. Thomas. Phys. Rev. B 79, 094101 (2009)
G. Malegori, L. Miglio. Phys. Rev. B 48, 9223 (1993)
G. Grimvall. Thermophysical Properties of Materials. Elsevier, North Holland (1999)
J.P. Watt. J. Appl. Phys. 50, 6290 (1979)
J.P. Watt, L. Peselnick. J. Appl. Phys. 51, 1525 (1980)
J.F. Nye. Physical properties of crystals: their representation by tensors and matrices. Oxford University Press, Oxford (1985)
A. Otero-de-la-Roza, D. Abbasi-Perez, V. Luana. Comp. Phys. Commun. 182, 2232 (2011)

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