Issue 31, 2010
From the journal:

Dalton Transactions

Structural and electronic trends in rare-earth technetate pyrochlores†

Philippe F. Weck,*a   Eunja Kim,b   Frederic Poineau,a   Efrain E. Rodriguez,c   Alfred P. Sattelbergerd  and  Kenneth R. Czerwinskia  

* Corresponding authors

a Department of Chemistry and Harry Reid Center for Environmental Studies, University of Nevada Las Vegas, Las Vegas, NV, USA
E-mail: weckp@unlv.nevada.edu

b Department of Physics and Astronomy, University of Nevada Las Vegas, Las Vegas, NV, USA

c NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD, USA

d Energy Engineering and Systems Analysis Directorate, Argonne National Laboratory, Argonne, IL, USA

Abstract

We report the structures and electronic properties of nine novel rare earth technetate pyrochlores with ideal stoichiometry Ln2Tc2O7 (Ln = Ce–Pm, Gd, Tb, Ho, Tm, Lu) predicted within the framework of gradient-corrected density functional theory. The computed structures of Er2Tc2O7, Dy2Tc2O7, and Sm2Tc2O7 also closely match available X-ray diffraction data.

Graphical abstract: Structural and electronic trends in rare-earth technetate pyrochlores

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Article information

DOI
https://doi.org/10.1039/C0DT00212G
Article type
Communication
Submitted
27 Mar 2010
Accepted
03 Jun 2010
First published
22 Jun 2010

Dalton Trans., 2010,39, 7207-7210

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Structural and electronic trends in rare-earth technetate pyrochlores

P. F. Weck, E. Kim, F. Poineau, E. E. Rodriguez, A. P. Sattelberger and K. R. Czerwinski, Dalton Trans., 2010, 39, 7207 DOI: 10.1039/C0DT00212G

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