| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Schmalzl, Karin
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (5/5 displayed)
- 2019Coexistence of Eu antiferromagnetism and pressure-induced superconductivity in single-crystal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>EuFe</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>As</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>citations
- 2017Transverse acoustic phonon anomalies at intermediate wave vectors in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>MgV</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>citations
- 2015Distinct itinerant spin-density waves and local-moment antiferromagnetism in an intermetallic ErPd2Si2 single crystalcitations
- 2015Distinct itinerant spin-density waves and local-moment antiferromagnetism in an intermetallic ErPd2 Si2 single crystal
- 2007Volume and pressure dependence of ground-state and lattice-dynamical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Ba</mml:mi><mml:msub><mml:mi mathvariant="normal">F</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>from density-functional methodscitations
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article
Volume and pressure dependence of ground-state and lattice-dynamical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Ba</mml:mi><mml:msub><mml:mi mathvariant="normal">F</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>from density-functional methods
Abstract
We have performed an ab initio study of ${Ba}{{F}}_{2}$ by employing different program packages. Ground-state and lattice-dynamical properties are obtained from ab initio density-functional theory within local-density approximation (LDA) and generalized-gradient approximation (GGA) employing pseudopotentials and plane-wave basis sets, the electronic properties also from full-potential ${LAPW}+{LMTO}$ methods. The results for the lattice constant and the electronic gap energies agree well within the LDA and GGA. For the band structure we found a valence-band maximum in thedirection in contrast to previous works. From density-functional perturbation theory we have calculated the phonon properties. Phonon dispersion curves, elastic constants, high-frequency dielectric constant, and effective charges and their volume and pressure dependence are presented. From the calculation of the anharmonic process of thermal expansion a softening of the ${X}_{2}^{{'}}$ mode was found similar to that in ${Ca}{{F}}_{2}$.