Materials Properties of Ultra-Incompressible Re2P

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• 作者：Sebastian B. Schneider ; Dominik Baumann ; Ashkan Salamat ; Zuzana Kon么pkov谩 ; Hanns-Peter Liermann ; Marcus R. Schwarz ; Wolfgang Morgenroth ; Lkhamsuren Bayarjargal ; Alexandra Friedrich ; Bj枚rn Winkler ; Wolfgang Schnick
• 刊名：Chemistry of Materials
• 出版年：2012
• 出版时间：August 28, 2012
• 年：2012
• 卷：24
• 期：16
• 页码：3240-3246
• 全文大小：436K
• 年卷期：v.24,no.16(August 28, 2012)
• ISSN：1520-5002

文摘

In situ high-pressure X-ray powder diffraction measurements on Re₂P up to 37.0 GPa at ambient temperature in diamond-anvil cells were carried out at two different synchrotron facilities (ESRF and DESY). The compressibility of Re₂P (Pnma, no. 62, a = 5.5464(17), b = 2.9421(8), c = 10.0483(35) 脜,V = 163.97(9) 脜³, Z = 4, R_p = 0.1008, wR_p = 0.1341 at ambient conditions) was investigated and resulted in a bulk modulus of B₀ = 320(10) GPa after fitting the experimental p鈥?i>V data to a second- and third-order Birch鈥揗urnaghan equation of state. In addition, the determined bulk modulus is compared to values obtained from an Eulerian strain versus normalized stress plot with values ranging form 315(7) to 321(15) GPa. These experimental findings are confirmed by density functional theory (DFT)-calculations ranking Re₂P among ultra-incompressible materials. However, the Vickers hardness of a high-pressure sintered Re₂P鈥揜e_xC_y composite material in the asymptotic hardness region was found to be of only 13(2) GPa. Electrical conductivity measurements indicate that metallic Re₂P exhibits Pauli-paramagnetism. Analysis of temperature-dependent in situ X-ray diffractometry reveals an approximately isotropic expansion of the lattice parameters with a thermal expansion coefficient of (伪(V) = 28.5鈥?2.8(2)路10^鈥? K^鈥?).

Keywords:

bulk modulus; Vickers hardness; diamond-anvil cell technique; synchrotron radiation; phosphide