Search Results - "Bastardis, Roland"

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians by Maurice, Rémi, Bastardis, Roland, Graaf, Coen de, Suaud, Nicolas, Mallah, Talal, Guihéry, Nathalie

“…Monometallic Ni(II) and Co(II) complexes with large magnetic anisotropy are studied using correlated wave function based ab initio calculations. Based on the…”
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Electrically Switchable Magnetic Molecules: Inducing a Magnetic Coupling by Means of an External Electric Field in a Mixed-Valence Polyoxovanadate Cluster by Cardona-Serra, Salvador, Clemente-Juan, Juan M., Coronado, Eugenio, Gaita-Ariño, Alejandro, Suaud, Nicolas, Svoboda, Ondrej, Bastardis, Roland, Guihéry, Nathalie, Palacios, Juan J.

“…Herein we evaluate the influence of an electric field on the coupling of two delocalized electrons in the mixed‐valence polyoxometalate (POM) [GeV14O40]8− (in…”
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Magnetization nutation induced by surface effects in nanomagnets by Vernay, F., Kachkachi, H., Bastardis, Roland

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Rigorous Extraction of the Anisotropic Multispin Hamiltonian in Bimetallic Complexes from the Exact Electronic Hamiltonian by Maurice, Rémi, Guihéry, Nathalie, Bastardis, Roland, Graaf, Coen de

“…The magnetic anisotropy of the [Ni2(en)4Cl2]2+ (en = ethylenediamine) complex has been studied using wave function based computational schemes. The spin−orbit…”
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Ab initio study of the CE magnetic phase in half-doped manganites: Purely magnetic versus double exchange description by Bastardis, Roland, de Graaf, Coen, Guihéry, Nathalie

“…The leading electronic interactions governing the local physics of the CE phase of half-doped manganites are extracted from correlated ab initio calculations…”
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Possible use of DFT approaches for the determination of double exchange interactions by Boilleau, Corentin, Suaud, Nicolas, Bastardis, Roland, Guihéry, Nathalie, Malrieu, Jean Paul

“…DFT calculations are performed on a model mixed-valence system presenting a double exchange phenomenon. Due to the intrinsic multireference character of the…”
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Ab initio study of the Zener polaron spectrum of half-doped manganites: Comparison of several model Hamiltonians by Bastardis, Roland, Guihéry, Nathalie, de Graaf, Coen

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Rigorous Extraction of the Anisotropic Multispin Hamiltonian in Bimetallic Complexes from the Exact Electronic Hamiltonian by Maurice, Rémi, Guihéry, Nathalie, Bastardis, Roland, Graaf, Coen de

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Relaxation time of a Brownian rotator in a potential with nonparabolic barriers by Bastardis, Roland, Déjardin, Pierre-Michel, Kalmykov, Yuri P.

“…The extension of the Kramers theory of the escape rate of a Brownian particle from a potential well to the entire range of damping proposed by Mel’nikov and…”
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Microscopic origin of isotropic non-Heisenberg behavior in S = 1 magnetic systems by Bastardis, Roland, Guihéry, Nathalie, de Graaf, Coen

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Magnetization nutation induced by surface effects in nanomagnets by Bastardis, Roland, Vernay, Francois, Kachkachi, Hamid

“…Phys. Rev. B 98, 165444 (2018) We investigate the magnetization dynamics of ferromagnetic nanoparticles in the atomistic approach taking account of surface…”
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Relation between double exchange and Heisenberg model spectra: Application to the half-doped manganites by Bastardis, Roland, Guihéry, Nathalie, Suaud, Nicolas

“…Properties in manganites are often interpreted in terms of double exchange mechanism. A dimer of manganese sites bearing a hole is seen as a mixed valence…”
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Ferromagnetic resonance of coupled shifted chains of nano-elements by Bastardis, Roland, Déjardin, Jean-Louis, Vernay, François, Kachkachi, Hamid

“…Journal of Applied Physics, 119, 174302 (2016) We investigate the FMR characteristics of a magnetic dimer composed of two chains of iron nanoparticles coupled…”
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A surprising relation between double exchange and Heisenberg model spectra: Application to half-doped manganites by Bastardis, Roland, Guihery, Nathalie, Suaud, Nicolas

“…The Zener polarons recently found in half-doped manganites are usually seen as mixed valence entities ruled by a double exchange Hamiltonian involving only…”
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Ab initio study of the CE magnetic phase in half-doped manganites: Purely magnetic versus double exchange description by Bastardis, Roland, de Graaf, Coen, Guihery, Nathalie

“…The leading electronic interactions governing the local physics of the CE phase of half-doped manganites are extracted from correlated ab initio calculations…”
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Microscopic origin of isotropic non-Heisenberg behavior in highly correlated systems by Bastardis, Roland, Guihery, Nathalie, de Graaf, Coen

“…We have reanalyzed the microscopic origin of the isotropic deviations that are observed from the energy spacings predicted by the HDVV Hamiltonian. Usually, a…”
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