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20022011
most citedBoltzTraP. A code for calculating band-structure dependent quantities

6.2k citations

Showing 2006 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2006156 cited

Functional form of the generalized gradient approximation for exchange: The PBE functional

Georg K. H. Madsen

A new functional form for the exchange enhancement in the generalized gradient approximation within density functional theory is given. The functional form satisfies the constraint…

cond-mat.mtrl-sci2006309 cited

Electronic structure of normal and inverse spinel ferrites from first principles

Z. Szotek, W. M. Temmerman, D. Koedderitzsch +3

We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFeO$_{4…

cond-mat.mtrl-sci200636 cited

Phosphorus donors in highly strained silicon

Hans Huebl, Andre R. Stegner, Martin Stutzmann +5

The hyperfine interaction of phosphorus donors in fully strained Si thin films grown on virtual SiGe substrates with is determined via electrically detected…

cond-mat.mtrl-sci20064 cited

Valency Configuration of Transition Metal Impurities in ZnO

L. Petit, T. C. Schulthess, A. Svane +3

We use the self-interaction corrected local spin-density approximation to investigate the ground state valency configuration of transition metal (TM = Mn, Co) impurities in n- and…

cond-mat.mtrl-sci200670 cited

Electronic structure of rare-earth impurities in GaAs and GaN

A. Svane, N. E. Christensen, L. Petit +2

The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local…

cond-mat.mtrl-sci20066.2k cited

BoltzTraP. A code for calculating band-structure dependent quantities

Georg K. H. Madsen, David J. Singh

A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of the bands. From this analytical representation we…