-
K.
Reuter, C. Stampfl and M. Scheffler, Ab initio atomistic thermodynamics
and statistical mechanics of surface properties and functions, to
appear in Handbook of Materials Modeling, Volume 1, Fundamental Models
and Methods, Vol. 1. (Ed.) Sidney Yip. Springer Berlin Heidelberg 2005,
149-194. ISBN 1-4020-3287-0.
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M. Borg, C. Stampfl , A. Mikkelsen, J. Gustafson, E. Lundgren, M.
Scheffler, and J. N. Andersen, Phase diagram of Al-Na surface alloys
from first principles, ChemPhysChem 6, 1923-1928 (2005) .
-
C.
Stampfl and A. J. Freeman, Stable and metastable structures of the
multi-phase tantalum-nitride system, Phys. Rev. B. 71, 024111 (2005).
-
J.
Medvedeva, A. J. Freeman, X.Y Cui, C. Stampfl , and N. Newman,
Half-metallicity and Efficient Spin-injection in AlN/GaN:Cr(0001)
Heterostructur es, Phys. Rev. Lett. 94, 146602, 2005.
-
C.
Stampfl , Invited: Surface Processes and Phase Transitions from ab
initio Atomistic Thermodynamics and Statistical Mechanics, Catalysis
Today 105, 17-35 (2005).
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J. L.F. Da Silva, C. Stampfl , and M. Scheffler, Xe adsorption on metal
surfaces: First-principles investigations, Phys. Rev. B 72, 075424
(2005).
- X.Y. Cui, J. Medvedeva, A. J.
Freeman, B. Delley, N. Newman, and C. Stampfl, Role of embedded
clustering in dilute magnetic nitrides: Cr doped GaN, Phys. Rev. Lett.
95, 256404 (2005).