High-temperature structure of an intermetallic ErPd$_2$Si$_2$ single crystal

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Status	即將出版Forthcoming
	High-temperature structure of an intermetallic ErPd$_2$Si$_2$ single crystal
	Sun, K. T. ; Zhu, Y. H. ; Wu, S. ; Zhao, Q.; Zhou, P. F. ; Xia, J. C. ; Cao, C. D. ; Li, H.
Source Publication	Powder Diffraction (under review)
ISSN	0885-7156
Abstract	We have grown an intermetallic ErPd$_2$Si$_2$ single crystal by the floating-zone method and determined its high-temperature crystallography using synchrotron X-ray powder diffraction at 298 and 500 K. The collected diffraction patterns were well modeled by Rietveld method with the software of FULLPROF SUITE. Our refinements show that the ErPd$_2$Si$_2$ single crystal crystallizes systematically into tetragonal crystal system with space group of $I4/mmm$ (No. 139) and two chemical formulas within one unit cell, i.e., \emph{Z} = 2. The refined lattice constants are $a = b =$ 4.10341(2) {\AA} and \emph{c} = 9.88449(5) {\AA} at 298 K; $a = b =$ 4.11739(1) {\AA} and \emph{c} = 9.88149(4) {\AA} at 500 K. These result in the calculated unit-cell volume $V =$ 166.435(1) {\AA}$^3$ (298 K) and 167.5199(9) {\AA}$^3$ (500 K), and the calculated density $D_{\textrm{cal}}$ = 8.706 {$\textrm{g}{\cdot} \textrm{cm}^{-3}$} (298 K) and 8.649 {$\textrm{g}{\cdot} \textrm{cm}^{-3}$} (500 K). With increasing temperature from 298 to 500 K, we did not find any structural phase transition; the lattice constants $a$($b$) and \emph{c} are elongated and shortened, respectively, which leads to an expansion of the unit-cell volume and a reduction in the density.
Keyword	structure ErPd2Si2 single crystal
Language	英語English
The Source to Article	PB_Publication
PUB ID	61715
Document Type	Journal article
Collection	University of Macau
Corresponding Author	Li, H.
Recommended Citation GB/T 7714	Sun, K. T. ,Zhu, Y. H. ,Wu, S. ,et al. High-temperature structure of an intermetallic ErPd$_2$Si$_2$ single crystal[J]. Powder Diffraction (under review).
APA	Sun, K. T. ., Zhu, Y. H. ., Wu, S. ., Zhao, Q.., Zhou, P. F. ., Xia, J. C. ., Cao, C. D. ., & Li, H. High-temperature structure of an intermetallic ErPd$_2$Si$_2$ single crystal. Powder Diffraction (under review).
MLA	Sun, K. T. ,et al."High-temperature structure of an intermetallic ErPd$_2$Si$_2$ single crystal".Powder Diffraction (under review) .

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