Search Results - "Temmerman, W.M."

Pressure-Induced Valence Transitions in Rare Earth Chalcogenides and Pnictides by Svane, A., Strange, P., Temmerman, W.M., Szotek, Z., Winter, H., Petit, L.

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Theory of the electronic and magnetic structure of cerium pnictides under pressure by Svane, A., Szotek, Z., Temmerman, W.M., Winter, H.

“…The electronic structures of the cerium pnictides CeN, CeP, CeAs, CeSb and CeBi are calculated within the self-interaction corrected local-spin density…”
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Effect of pressure on f-electron delocalization and oxidation in actinide dioxides by Petit, L., Szotek, Z., Temmerman, W.M., Stocks, G.M., Svane, A.

“…Using first principles calculations, we have investigated f-electron delocalization and oxidation in the actinide dioxides under pressure. Whilst UO2 is found…”
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Half-metallic transition metal oxides by Szotek, Z., Temmerman, W.M., Svane, A., Petit, L., Stocks, G.M., Winter, H.

“…We present an application of the self-interaction corrected local spin density approximation to study the electronic structure of half-metallic double…”
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Study of half-metallicity in LSMO by Banach, G., Tyer, R., Temmerman, W.M.

“…Self-interaction corrected local spin density approximation calculations were performed for La (1− x) Sr x MnO 3 (LSMO) ( x=0.7). A half-metallic state was…”
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First-principles calculations of Pu[O.sub.2±x] by Petit, L, Svane, A, Szotek, Z, Temmerman, W.M

“…The electronic structure of PuO[2±x] was studied using first-principles quantum mechanics, realized with the self-interaction corrected local spin density…”
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First-principles calculations of Pu[O.sub.2[+ or -]x] by Petit, L, Svane, A, Szotek, Z, Temmerman, W.M

“…The electronic structure of PuO[2[+ or -]x] was studied using first-principles quantum mechanics, realized with the self-interaction corrected local spin…”
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Electronic structure of Pu monochalcogenides and monopnictides by Petit, L., Svane, A., Temmerman, W.M., Szotek, Z.

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Valencies in actinides by Petit, L., Svane, A., Temmerman, W.M., Szotek, Z.

“…The electronic structures of the actinide metals are calculated with the self-interaction corrected local-spin-density approximation. This scheme allows for a…”
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Pressure‐Induced Valence Transitions in Rare Earth Chalcogenides and Pnictides by Svane, A., Strange, P., Temmerman, W.M., Szotek, Z., Winter, H., Petit, L.

“…The electronic structure of rare earth chalcogenides and pnictides is calculated with the ab‐initio self‐interaction corrected local‐spin‐density approximation…”
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LSD-SIC studies of localization in the 4d-transition metal oxides Sr 2RuO 4 and Ca 2RuO 4 by Stocks, G.Malcolm, Temmerman, W.M, Szotek, Z, Svane, A, Ködderitzsch, D, Winter, H

“…Self-interaction corrected local spin density approximation has been used to study the possibility of localization in Sr 2RuO 4 and Ca 2RuO 4. Although the…”
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Electronic structure of 3d-transition-metal monoxides: surface and bulk-point-defects by Ködderitzsch, D, Hergert, W, Szotek, Z, Temmerman, W.M

“…We discuss exchange coupling constants of a Heisenberg model in NiO and NiO(001), obtained with ab initio SIC-LSD method. In addition, using the same approach,…”
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Electronic Configuration of Yb Compounds by Temmerman, W. M., Szotek, Z., Svane, A., Strange, P., Winter, H., Delin, A., Johansson, B., Eriksson, O., Fast, L., Wills, J. M.

“…The total energy differences between divalent and trivalent configurations of Yb ions in a number of Yb compounds are studied. Two different band theoretical…”
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Doping dependence of the superconducting gap in YBa 2Cu 3O 7− δ by Szotek, Z., Gyorffy, B.L., Temmerman, W.M.

“…Using the quasiparticle spectra in the superconducting state, as determined by the eight-band model for YBa 2Cu 3O 7 and a phenomenological interaction…”
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LSD-SIC studies of localization in the 4d-transition metal oxides Sr2RuO4 and Ca2RuO4 by Stocks, G.Malcolm, Temmerman, W.M, Szotek, Z, Svane, A, Ködderitzsch, D, Winter, H

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Doping dependence of the superconducting gap in YBa2Cu3O7−δ by Szotek, Z., Gyorffy, B.L., Temmerman, W.M.

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First principles relativistic theory of photoemission from magnetic surfaces by Woods, M, Strange, P, Ernst, A, Temmerman, W.M

“…A first principles theory of spin- and angle-resolved photoemission has been developed. The theory is based on density functional theory and is fully…”
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Ab initio study of the electronic and magnetic structure of NiO(0 0 1) by Ködderitzsch, D., Hergert, W., Szotek, Z., Temmerman, W.M.

“…We applied the self-interaction corrected (SIC) LSDA formalism to study the electronic structure of NiO and its (0 0 1) surface. Different magnetic orderings…”
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On the nature of the magnetic coupling at the Gd (0 0 0 1) surface by Jenkins, A.C., Temmerman, W.M.

“…We report on the application of the LSDA and the PBE to the description of the magnetic coupling at the Gd (0 0 0 1) surface. The first-principles technique…”
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Calculated properties of gadolinium/molybdenum multilayers by Jenkins, A.C, Temmerman, W.M

“…The self-consistent tight-binding linear-muffin-tin-orbital method, with the atomic-sphere approximation, is used to obtain a description of the magnetic…”
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