The structure of [upsilon]-ZrW2O8 has been optimized at zero pressure and also at V/V0=0.97 by means of density functional theory calculations using the B3LYP functional. As previously found for [upsilon]-ZrW2O8, tungsten polyhedra are stiffer than zirconium octahedra in -ZrW2O8. However, contrary to what has been found for [upsilon]-ZrW2O8, all first coordination polyhedra in the phase are less compressible than the unit cell. Volume reduction in [upsilon]-ZrW2O8 is, thus, mainly accomplished by polyhedral tilting. Upon pressure increase, the distance between the terminal oxygen and W atoms from the nearest polyhedra decreases by as much as 3.66% for the pair O101-W6 . Accordingly, a further reduction in the zirconium tungstate molar volum...
High-pressure high-temperature syntheses using the gamma- ZrMo2O8 (Pa (3) over bar, Z = 4) starting...
Amorphous to crystalline transition in pressure quenched Zr<SUB>0.5</SUB>Hf<SUB>0.5</SUB>W<SUB>2</SU...
High-pressure optical absorption measurements are carried out on zirconium tungstate and hafnium tun...
The structure of [upsilon]-ZrW2O8 has been optimized at zero pressure and also at V/V0=0.97 by means...
The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calcula...
The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calcula...
The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calcula...
We report high-pressure synchrotron X-ray powder diffraction data for the W-rich cubic ZrW[2-x]Mo[x]...
AbstractAmorphous zirconium tungstate (a-ZrW2O8), prepared at 7.7GPa, was subjected to successive he...
In contrast to widely accepted view that pressure-induced amorphization arises due to kinetic hindra...
AbstractAmorphous zirconium tungstate (a-ZrW2O8), prepared at 7.7GPa, was subjected to successive he...
4 p. : il.It has been shown that zirconium tungstate (ZrW2O8) exhibits isotropic negative thermal ex...
O tungstato de zircônio, ZrW2O8, ocupa um lugar de destaque entre os compostos cujas propriedades fí...
In contrast to widely accepted view that pressure-induced amorphization arises due to kinetic hindra...
4 p. : il.Zirconium tungstate (a-ZrW2O8) exhibits isotropic negative thermal expansion over a wide r...
High-pressure high-temperature syntheses using the gamma- ZrMo2O8 (Pa (3) over bar, Z = 4) starting...
Amorphous to crystalline transition in pressure quenched Zr<SUB>0.5</SUB>Hf<SUB>0.5</SUB>W<SUB>2</SU...
High-pressure optical absorption measurements are carried out on zirconium tungstate and hafnium tun...
The structure of [upsilon]-ZrW2O8 has been optimized at zero pressure and also at V/V0=0.97 by means...
The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calcula...
The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calcula...
The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calcula...
We report high-pressure synchrotron X-ray powder diffraction data for the W-rich cubic ZrW[2-x]Mo[x]...
AbstractAmorphous zirconium tungstate (a-ZrW2O8), prepared at 7.7GPa, was subjected to successive he...
In contrast to widely accepted view that pressure-induced amorphization arises due to kinetic hindra...
AbstractAmorphous zirconium tungstate (a-ZrW2O8), prepared at 7.7GPa, was subjected to successive he...
4 p. : il.It has been shown that zirconium tungstate (ZrW2O8) exhibits isotropic negative thermal ex...
O tungstato de zircônio, ZrW2O8, ocupa um lugar de destaque entre os compostos cujas propriedades fí...
In contrast to widely accepted view that pressure-induced amorphization arises due to kinetic hindra...
4 p. : il.Zirconium tungstate (a-ZrW2O8) exhibits isotropic negative thermal expansion over a wide r...
High-pressure high-temperature syntheses using the gamma- ZrMo2O8 (Pa (3) over bar, Z = 4) starting...
Amorphous to crystalline transition in pressure quenched Zr<SUB>0.5</SUB>Hf<SUB>0.5</SUB>W<SUB>2</SU...
High-pressure optical absorption measurements are carried out on zirconium tungstate and hafnium tun...