29.3k citations · 32.1k across the 69 of their papers we have counts for
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cond-mat.str-el2014★ 41 cited
First-principles study of intermediate-spin ferrous iron in the Earth's lower mantle
Han Hsu, Renata M. Wentzcovitch
Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute vol\% of the Earth's…
cond-mat.mtrl-sci2014★ 2 cited
Searching for high magnetization density in bulk Fe: the new metastable Fe phase
Koichiro Umemoto, Burak Himmetoglu, Jian-Ping Wang +2
We report the discovery of a new allotrope of iron by first principles calculations. This phase has symmetry, a six-atom unit cell (hence the name Fe), and the highest…
cond-mat.mtrl-sci2014
Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La-Lu)
M. Topsakal, R. M. Wentzcovitch
We provide accurate projected augmented wave (PAW) datasets for rare-earth (RE) elements with some suggested Hubbard U values allowing efficient plane-wave calculations. Solid stat…