Equation of State for Technetium from X-ray Diffraction and First-principle Calculations
Journal of Physics and Chemistry of Solids
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The ambient temperature equation of state (EoS) of technetium metal has been measured by X-ray diffraction. The metal was compressed using a diamond anvil cell and using a 4:1 methanol-ethanol pressure transmitting medium. The maximum pressure achieved, as determined from the gold pressureEquation of state for technetium from X-ray diffraction and first-principle calculations scale, was 67 GPa. The compression data shows that the HCP phase of technetium is stable up to 67 GPa. The compression curve of technetium was also calculated using first-principles total-energy calculations. Utilizing a number of fitting strategies to compare the experimental and theoretical data it is determined that the Vinet equation of state with an ambient isothermal bulk modulus of B0T=288 GPa and a first pressure derivative of B′=5.9(2) best represent the compression behavior of technetium metal. © 2016 Elsevier Ltd. All rights reserved.
A. Elements; C. Ab initio calculations; C. High pressure; C. X-ray; D. Equation-of-state; diffraction
Mast, D. S.,
Siska, E. M.,
Czerwinski, K. R.,
Forster, P. M.
Equation of State for Technetium from X-ray Diffraction and First-principle Calculations.
Journal of Physics and Chemistry of Solids, 95