Thermoelastic properties of ScB2, TiB2, YB4 and HoB4: Experimental and theoretical studies
作者： A. Waśkowska , L. Gerward , J. Staun Olsen , K. Ramesh Babu , G. Vaitheeswaran
DOI: 10.1016/J.ACTAMAT.2011.04.030
关键词: Bulk modulus 、 Thermoelastic damping 、 Materials science 、 Density functional theory 、 Thermodynamics 、 Diffraction 、 Synchrotron radiation 、 Orthorhombic crystal system 、 Mineralogy 、 Thermal expansion 、 Phase (matter)
摘要: High-pressure X-ray diffraction in ScB2, TiB2, YB4 and HoB4 powders single crystals has been studied using synchrotron radiation as well conventional X-rays. The experimental results are supported by calculations density functional theory. hard materials (bulk modulus 180–200 GPa), while TiB2 may be classified superhard about 260 GPa). We report here first theoretical determinations of the bulk for (195(5) 198.2 GPa, respectively), values ScB2 (196(2) GPa) (185(4) No pressure-induced phase transformations observed any above borides up to 20 GPa. A continuous temperature-driven orthorhombic distortion is below 285 K. Values thermal expansion coefficient reported at 293, 200 100 thermoelastic behavior explained terms bonding characteristics.
core.ac.uk
iith.ac.in
elsevier.com
sci-hub.se 参考文章(52)
Thaddeus B Massalski, Hiroaki Okamoto, PRnbsp Subramanian, Linda Kacprzak, William W Scott, None, Binary alloy phase diagrams ASM International. ,vol. 3, pp. 2874- ,(1986)
V Milman, M C Warren, Elastic properties of TiB2and MgB2 Journal of Physics: Condensed Matter. ,vol. 13, pp. 5585- 5595 ,(2001) , 10.1088/0953-8984/13/24/304
V. B. Pluzhnikov, I. V. Svechkarev, A. V. Dukhnenko, A. V. Levchenko, V. B. Filippov, A. Chopnik, de Haas–van Alphen effect in the diborides ScB2, ZrB2, and HfB2 Low Temperature Physics. ,vol. 33, pp. 350- 354 ,(2007) , 10.1063/1.2720083
Z. P. Yin, W. E. Pickett, Rare-earth-boron bonding and 4f state trends in RB4 tetraborides Physical Review B. ,vol. 77, pp. 035135- ,(2008) , 10.1103/PHYSREVB.77.035135
O.J. Żogał, P. Florian, D. Massiot, S. Paluch, N. Shitsevalova, D.F. Borshchevsky, 11B and 89Y MAS NMR and magnetic characterization of YB4 Solid State Communications. ,vol. 149, pp. 693- 696 ,(2009) , 10.1016/J.SSC.2009.02.019
G. Levchenko, A. Lyashchenko, V. Baumer, A. Evdokimova, V. Filippov, Yu. Paderno, N. Shitsevalova, Preparation and some properties of ScB2 single crystals Journal of Solid State Chemistry. ,vol. 179, pp. 2949- 2953 ,(2006) , 10.1016/J.JSSC.2006.05.022
Igor R Shein, Alexander L Ivanovskii, Elastic properties of mono- and polycrystalline hexagonal AlB2-like diborides of s, p and d metals from first-principles calculations Journal of Physics: Condensed Matter. ,vol. 20, pp. 415218- ,(2008) , 10.1088/0953-8984/20/41/415218
Norihiko L. Okamoto, Misato Kusakari, Katsushi Tanaka, Haruyuki Inui, Shigeki Otani, Anisotropic elastic constants and thermal expansivities in monocrystal CrB2, TiB2, and ZrB2 Acta Materialia. ,vol. 58, pp. 76- 84 ,(2010) , 10.1016/J.ACTAMAT.2009.08.058
J. Y. Kim, B. K. Cho, S. H. Han, Anisotropic magnetic phase diagrams of HoB4 single crystal Journal of Applied Physics. ,vol. 105, ,(2009) , 10.1063/1.3075871
D. L. Decker, High‐Pressure Equation of State for NaCl, KCl, and CsCl Journal of Applied Physics. ,vol. 42, pp. 3239- 3244 ,(1971) , 10.1063/1.1660714