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Cluster Computing
Published in: Cluster Computing 3/2019

23-02-2018

The first-principle calculation method for thermal structure stability analysis based on the simulation and sensing on cohesive energy

Authors: Jiahui Li, Jianhong Gong, Qiaoling Chen, Shengnan Liu, Jun Gao

Published in: Cluster Computing | Special Issue 3/2019

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Abstract

Thermal stability of a series of B-doped diamond models has been resolved by means of the simulations. And the accuracy of the model is proved by simulation computation. It was performed by adopting the first-principles calculation of plane wave ultra-soft pseudo-potential technology based upon the density function theory. The calculated values of cohesive energy and heats of formation showed that B4C60 has the weakest crystal stability, and lowest structure stability. Lattice constant, elastic constant have been calculated. Cohesive energy, heats of formation, Debye temperature is discussed. The calculation values of bulk moduli, shear moduli, Young’s moduli and Poisson ratio have also been given. The electronic properties of these B-doped models have been investigated using the functional theory within a local density approximation.
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Literature
1.
Field, J.E.: The properties of diamond. Academic Press, Cambridge (1979)
2.
Yoshida, K., Morigami, H.: Thermal properties of diamond/copper composite material. Microelectron. Reliab. 44(2), 303–308 (2004)CrossRef
3.
Yuan, Z.J., Zhou, M., Dong, S.: Effect of diamond tool sharpness on minimum cutting thickness and cutting surface integrity in ultra precision machining. J. Mater. Process. Technol. 62(4), 327–330 (1996)CrossRef
4.
Wentorf, R.H., Rocco, W.A.: Diamond tools for machining: US, US3745623 (1973)
5.
Chrenko, R.M.: Boron, the dominant acceptor in semiconducting diamond. Phys. Rev. B 7(10), 4560 (1973)CrossRef
6.
Takano, Y., Nagao, M., Tachiki, M., et al.: Superconductivity in boron-doped diamond thin film. US, US 7976893 B2 (2011)
7.
Gong, J.H., Mu-Sen, L.I., Yong-Xin, Q.I., et al.: Study on the crystal structure and oxidation resistance of boron-doped synthetic diamond. Superhard Mater. Eng. 4, 019 (2009)
8.
Linares, R.C.: Boron-doped diamond semiconductor. US, US8158455 (2012)
9.
Bustarret, E., Kacmarcik, J., Marcenat, C., et al.: Dependence of the superconducting transition temperature on the doping level in single-crystalline diamond films. Phys. Rev. Lett. 93(23), 237005 (2004)CrossRef
10.
Wang, Z.L., Luo, Q., Liu, L.W., et al.: The superconductivity in boron-doped polycrystalline diamond thick films. Diam. Relat. Mater. 15(4–8), 659–663 (2006)CrossRef
11.
Kopelevich, Y., Esquinazi, P.: Ferromagnetism and superconductivity in carbon-based systems. J. Low Temp. Phys. 146(5–6), 629–639 (2007)CrossRef
12.
Umezawa, H., Takenouchi, T., Takano, Y., et al.: Advantage on superconductivity of heavily boron-doped (111) diamond films. Physics (2005)
13.
Winzer, K., Bogdanov, D., Wild, C.: Electronic properties of boron-doped diamond on the border between the normal and the superconducting state. Physica C (Amsterdam, Neth.) 432(1–2), 65–70 (2005)CrossRef
14.
Bustarret, E., Achatz, P., Sacépé, B., et al.: Metal-to-insulator transition and superconductivity in boron-doped diamond. Phys. Rev. B 75(16), 1418–1428 (2007)
15.
Ma, Y., Tse, J.S., Cui, T., Klug, D.D., Zhang, L., Xie, Y., Niu, Y., Zou, G.: First-principles study of electron-phonon coupling in hole-and electron-doped diamonds in the virtual crystal approximation. Phys. Rev. B 72, 014306 (2005)CrossRef
16.
Blase, X., Adessi, C., Connétable, D.: Superconductivity in boron-doped diamond. Phys. Rev. Lett. 93(23), 237003 (2004)CrossRef
17.
Xiang, H.J., Li, Z., Yang, J., et al.: Electron-phonon coupling in boron-doped diamond superconductor. Phys. Rev. B 70(21), 155–163 (2004)CrossRef
18.
Sque, S.J., Jones, R., Briddon, P.R.: Structure, electronics, and interaction of hydrogen and oxygen on diamond surfaces. Phys. Rev. B 73(8), 085313 (2006)CrossRef
19.
Giustino, F., Yates, J.R., Souza, I., et al.: Electron-phonon interaction via electronic and lattice Wannier functions: superconductivity in boron-doped diamond reexamined. Phys. Rev. Lett. 98(4), 047005 (2007)CrossRef
20.
Bourgeois, E., Bustarret, E., Achatz, P., et al.: Impurity dimers in superconducting B-doped diamond: experiment and first-principles calculations. Phys. Rev. B 74(9), 094509 (2006)CrossRef
21.
Long, R., Dai, Y., Guo, M., Yu, L., Huang, B.B., Zhang, R.Q., Zhang, W.J.: Effect of B-complexes on lattice structure and electronic properties in heavily boron-doped diamond. Diam. Relat. Mater. 17, 234 (2008)CrossRef
22.
Zhang, R.J., Lee, S.T., Lam, Y.W.: Characterization of heavily boron-doped diamond films. Diam. Relat. Mater. 5(5), 1288–1294 (1996)CrossRef
23.
Ushizawa, K., Watanabe, K., Ando, T., Sakaguchi, I., Nishitani-Gamo, M., Sato, Y., Kanda, H.: Boron concentration dependence of Raman spectra on {100} and {111} facets of B-doped CVD diamond. Diam. Relat. Mater. 7, 1719 (1998)CrossRef
24.
Suli: Microstructure and properties of boron-dopped diamond synthesized by fe-based catalyst. Doctoral dissertation, Shandong University
25.
Stotter, J., Zak, J., Behler, Z., et al.: Optical and electrochemical properties of optically transparent, boron-doped diamond thin films deposited on quartz. Anal. Chem. 74(23), 5924–5930 (2003)CrossRef
26.
Unwin, P., Macpherson, J., Newton, M.: Boron-doped diamond: EP, WO/2010/029277 (2010)
27.
Payne, M.C.: MC Payne, MP Teter, DC Allan, TA Arias, and JD Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992). Rev. Mod. Phys. 64, 1045 (1992)CrossRef
28.
Tiwari, A.K., Goss, J.P.: Electronic and structural properties of diamond (001) surfaces terminated by selected transition metals. Phys. Rev. B 86(15), 155301 (2012)CrossRef
29.
Long, Run: Diamond and zinc nitride semiconductor electronic properties. Shandong University, Jinan (2008)
Metadata
Title
The first-principle calculation method for thermal structure stability analysis based on the simulation and sensing on cohesive energy
Authors
Jiahui Li
Jianhong Gong
Qiaoling Chen
Shengnan Liu
Jun Gao
Publication date
23-02-2018
Publisher
Springer US
Published in
Cluster Computing / Issue Special Issue 3/2019
Print ISSN: 1386-7857
Electronic ISSN: 1573-7543
DOI
https://doi.org/10.1007/s10586-018-1897-5

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