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 2008Show all

4 papers · 1 filter

cond-mat.mtrl-sci2008★ 267 cited

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation

Julien Toulouse, Iann C. Gerber, Georg Jansen +2

An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of sh…

cond-mat.mtrl-sci2008★ 28 cited

Structural relaxation effects on interface and transport properties of Fe/MgO(001) tunnel junctions

Xiaobing Feng, O. Bengone, M. Alouani +3

The interface structure of Fe/MgO(100) magnetic tunnel junctions predicted by density functional theory (DFT) depends significantly on the choice of exchange and correlation functi…

cond-mat.mtrl-sci2008★ 54 cited

The Delicate Electronic and Magnetic Structure of the LaOFePn System (Pn = pnictogen)

S. Lebegue, Z. P. Yin, W. E. Pickett

The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fu…

cond-mat.supr-con2008★ 304 cited

Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaOFeAs

Z. P. Yin, S. Lebègue, M. J. Han +3

When either electron or hole doped at concentrations , the LaOFeAs family displays remarkably high temperature superconductivity with T up to 55 K. In the most energ…