The equation of states, elastic constants and other mechanical properties of transition-metal osmium under high-pressure are studied by the first-principles plane-wave pseudopotential calculations based on the density functional theory (DFT). The calculated results indicate that osmium has high bulk modulus B0 (423.9 GPa) and large elastic constants C11 (771.3 GPa) and C33 (852.0 GPa) comparable to diamond (B0=452.8 GPa, C11=C33=1 082.9 GPa), so it is an ultralow-compressible material. However, its elastic constant C44 (269.8 GPa) and shear modulus G (276.8 GPa), which indirectly measure hardness, are half of those of diamond (C44=586.9 GPa, G=537.5 GPa). Because of its pure metallic bonds, it may not be superhard material. The microscopic mechanism of high bulk modulus and low hardness can be understood from the analysis for electronic structures, and it helps to design and synthesize new superhard material.
| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |