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Showing 2003 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2003★ 93 cited
First-principle molecular dynamics with ultrasoft pseudopotentials: parallel implementation and application to extended bio-inorganic system
P. Giannozzi, F. De Angelis, R. Car
We present a plane-wave ultrasoft pseudopotential implementation of first-principle molecular dynamics, which is well suited to model large molecular systems containing transition…
cond-mat.mtrl-sci2003★ 212 cited
Low Temperature Spin Freezing in Dy2Ti2O7 Spin Ice
J. Snyder, B. G. Ueland, J. S. Slusky +3
We report a study of the low temperature bulk magnetic properties of the spin ice compound Dy2Ti2O7 with particular attention to the (T < 4 K) spin freezing transition. While this…