output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2012Show all

3 papers · 1 filter

cond-mat.mtrl-sci2012★ 369 cited

Effect of van der Waals interactions on the structural and elastic properties of black phosphorus

S. Appalakondaiah, G. Vaitheeswaran, S. Lebegue +2

The structural and elastic properties of orthorhombic black phosphorus have been investigated using first-principles calculations based on density functional theory. The structural…

cond-mat.mtrl-sci2012★ 11 cited

Diffusion Of Indigo Molecules Inside The Palygorskite Clay Channels

Catherine Dejoie, Pauline Martinetto, Eric Dooryhee +6

The search for durable dyes led several past civilizations to develop artificial pigments. Maya Blue (MB), manufactured in pre-Columbian Mesoamerica, is one of the best known examp…

cond-mat.str-el2012★ 59 cited

Electron correlations in MnGaAs as seen by resonant electron spectroscopy and dynamical mean field theory

I. Di Marco, P. Thunström, M. I. Katsnelson +5

After two decades from the discovery of ferromagnetism in Mn-doped GaAs, its origin is still debated, and many doubts are related to the electronic structure. Here we report an exp…