Equation of State for Technetium from X-ray Diffraction and First-principle Calculations

Authors

Daniel S. Mast, University of Nevada, Las VegasFollow
Eunja Kim, University of Nevada, Las VegasFollow
Emily M. Siska, University of Nevada, Las VegasFollow
Frederic Poineau, University of Nevada, Las VegasFollow
Kenneth R. Czerwinski, University of Nevada, Las VegasFollow
Barbara Lavina, University of Nevada, Las VegasFollow
Paul M. Forster, University of Nevada, Las VegasFollow

Document Type

Article

Publication Date

1-1-2016

Publication Title

Journal of Physics and Chemistry of Solids

Volume

95

First page number:

6

Last page number:

11

Abstract

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.

Keywords

A. Elements; C. Ab initio calculations; C. High pressure; C. X-ray; D. Equation-of-state; diffraction

Language

English

Repository Citation

Mast, D. S., Kim, E., Siska, E. M., Poineau, F., Czerwinski, K. R., Lavina, B., Forster, P. M. (2016). Equation of State for Technetium from X-ray Diffraction and First-principle Calculations. Journal of Physics and Chemistry of Solids, 95 6-11.
http://dx.doi.org/10.1016/j.jpcs.2016.03.007