Microstructures and Properties of the Refractory Compounds TiSi₂ and ZrSi₂

Structural and Physical Properties of ZrSi2 under High Pressure: Experimental Study and First-Principles Calculations

“…Hence, the unit cell of ZrSi 2 along the b-axis is nearly twice as compressible as along the a-and c-axis, consistent with the layered structure of ZrSi 2 (Figure 1a, inset). It is apparent that the bulk moduli presented here for ZrSi 2 are significantly larger than those in literature, 14,16 though it seems that the earlier values were derived from single experiment using a cubic apparatus in combination with energy-dispersive synchrotron radiations. 16 Neither P−V data nor K′ 0 was reported in both studies.…”

“…This value is also equivalent to the macroscopic differential stress under pressures greater than 10 GPa. 24,25 The yield strength of ZrSi 2 is significantly higher than those obtained at ambient pressure and high temperatures, 14 but much lower than that of SiC (13.6 GPa) 43 and Al 2 O 3 (12.0 GPa). 44 It is commonly noticed that DAC experiments without pressure-transmitting medium tend to yield greater bulk moduli than those obtained under hydrostatic condition.…”

“…5 The structure and the thermal expansion at high temperatures were examined via X-ray diffraction (XRD) method. 1,14 Plastic deformation behavior of bulk and singlecrystal ZrSi 2 was investigated at ambient pressure. 14,15 The bulk modulus was estimated via cold compression in a cubic press with energy-dispersive synchrotron X-ray diffraction as the probe.…”

“…1,14 Plastic deformation behavior of bulk and singlecrystal ZrSi 2 was investigated at ambient pressure. 14,15 The bulk modulus was estimated via cold compression in a cubic press with energy-dispersive synchrotron X-ray diffraction as the probe. 16 More recently, various properties of ZrSi 2 at high pressure and temperature have been predicted through the first-principles calculation.…”

“…There have been a few studies to date on ZrSi 2 , which has an orthorhombic structure (space group CmCm ) at ambient conditions . The structure and the thermal expansion at high temperatures were examined via X-ray diffraction (XRD) method. , Plastic deformation behavior of bulk and single-crystal ZrSi 2 was investigated at ambient pressure. , The bulk modulus was estimated via cold compression in a cubic press with energy-dispersive synchrotron X-ray diffraction as the probe . More recently, various properties of ZrSi 2 at high pressure and temperature have been predicted through the first-principles calculation .…”