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- Publications
- Influence

Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients

- A. Svane, N. E. Christensen, M. Cardona, A. Chantis, M. Schilfgaarde, T. Kotani
- Physics
- 18 June 2010

First-principles study of elastic properties of CeO2, ThO2 and PoO2

- V. Kanchana, G. Vaitheeswaran, A. Svane, A. Delin
- Physics
- 25 October 2006

Using first-principles density functional calculations, the structural and elastic properties of fluorite type oxides CeO2, ThO2 and PoO2 were studied by means of the full-potential linear muffin-tin… Expand

Self-interaction correction in multiple scattering theory

- M. Luders, A. Ernst, +6 authors W. Temmerman
- Physics
- 22 June 2004

We propose a simplified version of self-interaction corrected local spin-density (SIC-LSD) approximation, based on multiple scattering theory, which implements self-interaction correction locally,… Expand

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

- S. Appalakondaiah, G. Vaitheeswaran, S. Lebeg̀ue, N. E. Christensen, A. Svane
- Physics
- 5 July 2012

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

Understanding the valency of rare earths from first-principles theory

- P. Strange, A. Svane, W. Temmerman, Z. Szotek, H. Winter
- Chemistry
- Nature
- 24 June 1999

The rare-earth metals have high magnetic moments and a diverse range of magnetic structures. Their magnetic properties are determined by the occupancy of the strongly localized 4f electronic shells,… Expand

Theory of point defects in GaN, AlN, and BN: Relaxation and pressure effects

- I. Gorczyca, A. Svane, N. E. Christensen
- Physics
- 15 September 1999

Native defects and some common dopants in cubic GaN, AlN, and BN are examined by means ofab initio calculations using a supercell approach in connection with the full potential linear muffin-tin… Expand

Domain wall propagation and nucleation in a metastable two-level system.

- H. Fogedby, J. Hertz, A. Svane
- Physics, Medicine
- Physical review. E, Statistical, nonlinear, and…
- 21 April 2004

We present a dynamical description and analysis of nonequilibrium transitions in the noisy one-dimensional Ginzburg-Landau equation for an extensive system based on a weak noise canonical phase space… Expand

Electronic Structure of Rare Earth Oxides

- L. Petit, A. Svane, Z. Szotek, W. Temmerman
- Chemistry
- 2006

The electronic structures of dioxides, REO{sub 2}, and sesquioxides, RE{sub 2}O{sub 3}, of the rare earths, RE = Ce, Pr, Nd,Pm, Sm,Eu, Gd,Tb, Dy and Ho, are calculated with the… Expand

Bulk modulus of CeO2 and PrO2—An experimental and theoretical study

- L. Gerward, J. S. Olsen, L. Petit, G. Vaitheeswaran, V. Kanchana, A. Svane
- Materials Science
- 1 September 2005

The high-pressure structural behaviour of CeO2 and PrO2 has been investigated by synchrotron X-ray diffraction at pressures up to 20 and 35 GPa, respectively. The experiments are accompanied by first… Expand

Electronic structures of normal and inverse spinel ferrites from first principles

- Z. Szotek, W. Temmerman, D. Koedderitzsch, A. Svane, L. Petit, H. Winter
- Physics
- 7 August 2006

We apply the self-interaction corrected local spin density approximation to study the electronic structure and magnetic properties of the spinel ferrites… Expand