Search Results - "Madsen, G.K.H."

Electronic structure calculations of solids using the WIEN2k package for material sciences by Schwarz, K., Blaha, P., Madsen, G.K.H.

“…In studies of the electronic structure of solids, the augmented plane wave (APW) method is the basis for the solution of the Kohn–Sham equations of density…”
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Anomalously large lattice thermal conductivity in metallic tungsten carbide and its origin in the electronic structure by Kundu, A., Ma, J., Carrete, J., Madsen, G.K.H., Li, W.

“…Usually, the thermal conductivity is predominantly contributed by electrons in metals. In this work, by using first-principles calculations we find that in…”
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A DFT study of formation energies of Fe–Zn–Al intermetallics and solutes by Klaver, T.P.C., Madsen, G.K.H., Drautz, R.

“…We report Density Functional Theory results on FeAl and FeZn intermetallics and Fe, Zn and Al solute atoms. The formation energies of fully relaxed…”
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High pressure behaviour of TbN: an X-ray diffraction and computational study by Jakobsen, J.M., Madsen, G.K.H., Jørgensen, J.-E., Staun Olsen, J., Gerward, L.

“…In the present work, we report an X-ray powder diffraction study of TbN up to an applied hydrostatic pressure of 43 GPa. TbN was found to be stable in the B1…”
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Electronic structure in FeSb2, FeAs2 and FeSi by Madsen, G.K.H., Bentien, A., Johnsen, S., Iversenm, B.B.

“…We have automatized the calculation of band structures. Using a rigid band approach and Boltzmann theory it is possible to calculate the Seebeck coefficient…”
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Thermoelectric properties of hole doped FeSb/sub 2 by Bentien, A., Madsen, G.K.H., Johnsen, S., Iversen, B.B.

“…FeSb/sub 2/ is a diamagnetic semiconductor where the Fe 3d levels are located just below the band gap. A series of systematically Sn substituted FeSb/sub…”
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Copper containing germanium clathrates by Johnsen, S., Bentien, A., Madsen, G.K.H., Nygren, M., Iversen, B.B.

“…Calculated transport properties based on density functional theory calculations for Ba/sub 8/Cu/sub 6/Ge/sub 40/ predict the power function to be enhanced for…”
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