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Erratum: Composition, structure, and stability ofRuO2(110)as a function of oxygen pressure [Phys. Rev. B65, 035406 (2001)]

Authors :
Matthias Scheffler
Karsten Reuter
Source :
Physical Review B. 75
Publication Year :
2007
Publisher :
American Physical Society (APS), 2007.

Abstract

Our paper determines the lowest-energy structure of a RuO2 110 surface in thermodynamic equilibrium with an oxygenrich environment. The limit of least oxygen-containing gas phase conditions considered O-poor limit is motivated by the Gibbs free energy of formation of the bulk oxide Gf. Employing the value of Gf 0,0 at 0 K, we stated the error as opposed to using the temperature and pressure dependent value Gf T , p as 0.63 eV at 1000 K and 1 atm. This value was erroneously deduced from the CRC Handbook,1 due to inconsistent entries in the Gf T , p° =1 atm table, mixing decadic and natural logarithms in the stated interpolation formulae for rutile structured oxides. Using the proper decadic logarithm in the interpolation formula for RuO2 the correct variation up to 1000 K and 1 atm is 1.78 eV. 2 In addition, Eq. 19 in our paper contains an erroneous factor of 2 in the denominator, which leads to an estimate of the vibrational contribution to the surface free energy in Fig. 1 that is too small by a factor of 2. In the temperature range up to 600 K discussed in our paper, this contribution remains nevertheless below 10 meV/A2. Therefore neither error affects the conclusions drawn. We thank Ian Grey for making us aware of the inconsistent entries in the CRC Handbook.

Details

ISSN :
1550235X and 10980121
Volume :
75
Database :
OpenAIRE
Journal :
Physical Review B
Accession number :
edsair.doi...........dcabf2a9145e9c763e45b654154af0d8
Full Text :
https://doi.org/10.1103/physrevb.75.049901