Browsing
     by title


0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

or enter first few letters:   
OK
Full Text
Peer Reviewed
See detailFirst-principles study of the ferroelectric Aurivillius phase Bi2WO6
Djani-Ait, Hania ULg; Bousquet, Eric ULg; Kellou, Abdelhafid et al

in Physical Review. B, Condensed Matter and Materials Physics (2012), 86

In order to better understand the reconstructive ferroelectric-paraelectric transition of Bi2WO6, which is unusual within the Aurivillius family of compounds, we performed first-principles calculations of ... [more ▼]

In order to better understand the reconstructive ferroelectric-paraelectric transition of Bi2WO6, which is unusual within the Aurivillius family of compounds, we performed first-principles calculations of the dielectric and dynamical properties of two possible high-temperature paraelectric structures—the monoclinic phase of A2/m symmetry observed experimentally and the tetragonal phase of I4/mmm symmetry—common to most Aurivillius-phase components. Both paraelectric structures exhibit various unstable modes, which, after their condensation, bring the system toward more stable structures of lower symmetry. The calculations confirm that, starting from the paraelectric A2/m phase at high temperatures, the system must undergo a reconstructive transition to reach the P21ab ferroelectric ground state. [less ▲]

Detailed reference viewed: 26 (7 ULg)
Full Text
Peer Reviewed
See detailFirst-principles study of the lattice dynamical properties of strontium ruthenate
Miao, Naihua ULg; Bristowe, Nicholas ULg; Xu, Bin et al

in Journal of Physics : Condensed Matter (2014), 26

By means of first-principles calculations, various properties of SrRuO3 are investigated, focusing on its lattice dynamical properties. Despite having a Goldschmidt tolerance factor very close to 1, the ... [more ▼]

By means of first-principles calculations, various properties of SrRuO3 are investigated, focusing on its lattice dynamical properties. Despite having a Goldschmidt tolerance factor very close to 1, the phonon dispersion curves of the high-temperature cubic phase of SrRuO3 show strong antiferrodistortive instabilities. The energetics of metastable phases with different tilt patterns are discussed, concluding that the coupling of oxygen rotation modes with anti-polar Sr motion plays a key role in stabilizing the Pnma phase with respect to alternative rotation patterns. Our systematic analysis confirms previous expectations and contributes to rationalizing better why many ABO3 perovskites, including metallic compounds, exhibit an orthorhombic ground state. The zone-center phonon modes of the Pnma phase have been computed, from which we propose partial reassignment of available experimental data. The full dispersion curves have also been obtained, constituting benchmark results for the interpretation of future measurements and providing access to thermodynamical properties. [less ▲]

Detailed reference viewed: 42 (15 ULg)
Peer Reviewed
See detailFirst-Principles Study of the Mechanism for B4-to-B1 Phase Transformation in AlN
Xu, Bin ULg; Dong, Jianjun; Stokes, Harold et al

Poster (2009, June)

Detailed reference viewed: 13 (0 ULg)
Peer Reviewed
See detailFirst-Principles Study of Thermal and Elastic Properties of Al2O3
Xu, Bin ULg; Dong, Jianjun

Poster (2007, February)

Detailed reference viewed: 20 (3 ULg)
Full Text
Peer Reviewed
See detailFirst-principles study of transport properties in Os and OsSi
Xu, Bin ULg; Verstraete, Matthieu ULg

in Physical Review. B : Condensed Matter (2013), 87

Detailed reference viewed: 70 (13 ULg)
Full Text
Peer Reviewed
See detailFirst-principles study of vibrational and noncollinear magnetic properties of the perovskite to postperovskite pressure transition of $NaMnF_3$
Garcia-Castro, A. C.; Romero, A. H.; Bousquet, Eric ULg

in Physical Review. B, Condensed Matter and Materials Physics (2014), 90

We performed a first-principles study of the structural, vibrational, electronic, and magnetic properties of NaMnF3 under applied isotropic pressure. We found that NaMnF3 undergoes a reconstructive phase ... [more ▼]

We performed a first-principles study of the structural, vibrational, electronic, and magnetic properties of NaMnF3 under applied isotropic pressure. We found that NaMnF3 undergoes a reconstructive phase transition at 8 GPa from the Pnma distorted perovskite structure toward the Cmcm postperovskite structure. This is confirmed by a sudden change of the Mn-F-Mn bondings where the crystal goes from corner-shared octahedra in the Pnma phase to edge-shared octahedra in the Cmcm phase. The magnetic ordering also changes from a G-type antiferromagnetic ordering in the Pnma phase to a C-type antiferromagnetic ordering in the Cmcm phase. Interestingly, we found that the high-spin d-orbital filling is kept at the phase transition which has never been observed in the known magnetic postperovskite structures. We also found a highly noncollinear magnetic ordering in the Cmcm postperovskite phase that drives a large ferromagnetic canting of the spins. We discuss the validity of these results with respect to the U and J parameters of the GGA+U exchange-correlation functional used in our study and conclude that large-spin canting is a promising property of the postperovskite fluoride compounds. [less ▲]

Detailed reference viewed: 8 (3 ULg)
Full Text
Peer Reviewed
See detailFiscal policy in an ovrelapping generations model with bequest-as-consumption
Michel, Philippe; Pestieau, Pierre ULg

in Journal of Public Economic Theory (2004)

This paper analyzes an overlapping generation (OLG) growth model wherein saving finances second period consumption and bequest-as-consumption. First, it looks at the market equilibrium and at the optimal ... [more ▼]

This paper analyzes an overlapping generation (OLG) growth model wherein saving finances second period consumption and bequest-as-consumption. First, it looks at the market equilibrium and at the optimal solution; then it turns to the issue of decentralizing the optimal solution with various taxes and transfers. Depending on the available instruments, either a first-best or a second-best optimum can be achieved. Throughout the paper, the results are contrasted with those obtained in the standard OLG model without intergenerationel transfers. [less ▲]

Detailed reference viewed: 14 (3 ULg)
Full Text
Peer Reviewed
See detailFiscale schulden van een onvermogende schuldenaar
Peeters, Bart ULg

in Algemeen Fiscaal Tijdschrift (2005), 11

Detailed reference viewed: 8 (0 ULg)
Full Text
Peer Reviewed
See detailFiscalità e povertà. L'esperienza belga
Bourgeois, Marc ULg

in Rivista Non Profit (2005)

Detailed reference viewed: 15 (3 ULg)
Full Text
See detailFiscalité des subsides et primes. Certificats Kyoto
Richelle, Isabelle ULg

Conference (2009, October)

Detailed reference viewed: 27 (10 ULg)
Full Text
Peer Reviewed
See detailLa fiscalité du patrimoine immobilier détenu par un résident belge en France
Docclo, Caroline ULg; Sirot, St.

in Journal de Droit Fiscal (2013)

Detailed reference viewed: 10 (2 ULg)
Full Text
See detailFiscalité et aménagement du territoire : La fiscalité communale
Bianchet, Bruno ULg; Xhignesse, Guillaume ULg; Bourgeois, Marc ULg et al

Poster (2013, November 26)

La fiscalité constitue un champ d’investigation qui impacte le territoire de multiples manières. Le financement des communes de Wallonie s’appuie sur différentes sources de recettes, dont la fiscalité ... [more ▼]

La fiscalité constitue un champ d’investigation qui impacte le territoire de multiples manières. Le financement des communes de Wallonie s’appuie sur différentes sources de recettes, dont la fiscalité constitue la plus importante. En 2011, elle représentait près de 48% des recettes globales des communes wallonnes. [less ▲]

Detailed reference viewed: 26 (10 ULg)
Full Text
See detailFiscalité et avantages matrimoniaux
Dehalleux, Virginie ULg

in Leleu, Yves-Henri; Verbeke, Alain; Taymans, Jean-François (Eds.) et al Manuel de planification patrimoniale, Le couple, Décès (2009)

Detailed reference viewed: 14 (4 ULg)
See detailFiscalité et culture
Bourgeois, Marc ULg

Scientific conference (2008)

Detailed reference viewed: 8 (0 ULg)
See detailFiscalité et culture
Bourgeois, Marc ULg

Diverse speeche and writing (2008)

Detailed reference viewed: 8 (3 ULg)
See detailFiscalité et droits fondamentaux
Bourgeois, Marc ULg

Scientific conference (2008)

Detailed reference viewed: 5 (2 ULg)
See detailFiscalité et droits fondamentaux
Bourgeois, Marc ULg

Scientific conference (2008, April 24)

Detailed reference viewed: 8 (0 ULg)
Full Text
See detailFiscalité et pauvreté
Bourgeois, Marc ULg

in Fierens, Jacques (Ed.) Les pauvres et leurs droits. Le point en 2001 (2001)

Detailed reference viewed: 29 (2 ULg)