Density-Functional Theory+Dynamical Mean-Field Theory Study: Of The Magnetic Properties of Transition-Metal Nanostructures - Softcover
Inhaltsangabe
In this book, Density Functional Theory (DFT) and Dynamical Mean-Field Theory (DMFT) approaches are applied to study the magnetic properties of transition metal nanosystems of different sizes and compositions. In particular, in order to take into account dynamical electron correlation effects (time-resolved local charge interactions), we have adopted the DFT+DMFT formalism and made it suitable for application to nanostructures. Preliminary application of this DFT+DMFT approach, using available codes, to study the magnetic properties of small (2 to 5-atom) Fe and FePt clusters provide meaningful results: dynamical effects lead to a reduction of the cluster magnetic moment as compared to that obtained from DFT or DFT+U (U being the Coulomb repulsion parameter). We have subsequently developed our own nanoDFT+DMFT code and applied it to examine the magnetization of iron particles containing10-147 atoms. Our results for the cluster magnetic moments are in a good agreement with experimental data. In particular, we are able to reproduce the oscillations in magnetic moment with size as observed in the experiments.
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Über die Autorin bzw. den Autor
Dr. Alamgir Kabir - Associate Professor, Ph.D, University of Central Florida, USA.
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Density-Functional Theory+Dynamical Mean-Field Theory Study
Verlag:
LAP LAMBERT Academic Publishing Feb 2019, 2019
ISBN 10: 3659900907
ISBN 13: 9783659900907
Neu
Taschenbuch
Anbieter: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Deutschland
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Taschenbuch. Zustand: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -In this book, Density Functional Theory (DFT) and Dynamical Mean-Field Theory (DMFT) approaches are applied to study the magnetic properties of transition metal nanosystems of different sizes and compositions. In particular, in order to take into account dynamical electron correlation effects (time-resolved local charge interactions), we have adopted the DFT+DMFT formalism and made it suitable for application to nanostructures. Preliminary application of this DFT+DMFT approach, using available codes, to study the magnetic properties of small (2 to 5-atom) Fe and FePt clusters provide meaningful results: dynamical effects lead to a reduction of the cluster magnetic moment as compared to that obtained from DFT or DFT+U (U being the Coulomb repulsion parameter). We have subsequently developed our own nanoDFT+DMFT code and applied it to examine the magnetization of iron particles containing10-147 atoms. Our results for the cluster magnetic moments are in a good agreement with experimental data. In particular, we are able to reproduce the oscillations in magnetic moment with size as observed in the experiments. 216 pp. Englisch. Bestandsnummer des Verkäufers 9783659900907
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Density-Functional Theory+Dynamical Mean-Field Theory Study
Verlag:
LAP LAMBERT Academic Publishing, 2019
ISBN 10: 3659900907
ISBN 13: 9783659900907
Neu
Softcover
Anbieter: moluna, Greven, Deutschland
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Zustand: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Kabir AlamgirDr. Alamgir Kabir - Associate Professor, Ph.D, University of Central Florida, USA.In this book, Density Functional Theory (DFT) and Dynamical Mean-Field Theory (DMFT) approaches are applied to study the magnetic prop. Bestandsnummer des Verkäufers 280825998
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Density-Functional Theory+Dynamical Mean-Field Theory Study
Verlag:
LAP LAMBERT Academic Publishing Feb 2019, 2019
ISBN 10: 3659900907
ISBN 13: 9783659900907
Neu
Taschenbuch
Anbieter: buchversandmimpf2000, Emtmannsberg, BAYE, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Taschenbuch. Zustand: Neu. This item is printed on demand - Print on Demand Titel. Neuware -In this book, Density Functional Theory (DFT) and Dynamical Mean-Field Theory (DMFT) approaches are applied to study the magnetic properties of transition metal nanosystems of different sizes and compositions. In particular, in order to take into account dynamical electron correlation effects (time-resolved local charge interactions), we have adopted the DFT+DMFT formalism and made it suitable for application to nanostructures. Preliminary application of this DFT+DMFT approach, using available codes, to study the magnetic properties of small (2 to 5-atom) Fe and FePt clusters provide meaningful results: dynamical effects lead to a reduction of the cluster magnetic moment as compared to that obtained from DFT or DFT+U (U being the Coulomb repulsion parameter). We have subsequently developed our own nanoDFT+DMFT code and applied it to examine the magnetization of iron particles containing10-147 atoms. Our results for the cluster magnetic moments are in a good agreement with experimental data. In particular, we are able to reproduce the oscillations in magnetic moment with size as observed in the experiments.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 216 pp. Englisch. Bestandsnummer des Verkäufers 9783659900907
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Density-Functional Theory+Dynamical Mean-Field Theory Study : Of The Magnetic Properties of Transition-Metal Nanostructures
Verlag:
LAP LAMBERT Academic Publishing, 2019
ISBN 10: 3659900907
ISBN 13: 9783659900907
Neu
Taschenbuch
Anbieter: AHA-BUCH GmbH, Einbeck, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Taschenbuch. Zustand: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - In this book, Density Functional Theory (DFT) and Dynamical Mean-Field Theory (DMFT) approaches are applied to study the magnetic properties of transition metal nanosystems of different sizes and compositions. In particular, in order to take into account dynamical electron correlation effects (time-resolved local charge interactions), we have adopted the DFT+DMFT formalism and made it suitable for application to nanostructures. Preliminary application of this DFT+DMFT approach, using available codes, to study the magnetic properties of small (2 to 5-atom) Fe and FePt clusters provide meaningful results: dynamical effects lead to a reduction of the cluster magnetic moment as compared to that obtained from DFT or DFT+U (U being the Coulomb repulsion parameter). We have subsequently developed our own nanoDFT+DMFT code and applied it to examine the magnetization of iron particles containing10-147 atoms. Our results for the cluster magnetic moments are in a good agreement with experimental data. In particular, we are able to reproduce the oscillations in magnetic moment with size as observed in the experiments. Bestandsnummer des Verkäufers 9783659900907
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Density-Functional Theory+Dynamical Mean-Field Theory Study: Of The Magnetic Properties of Transition-Metal Nanostructures
Verlag:
LAP LAMBERT Academic Publishing, 2019
ISBN 10: 3659900907
ISBN 13: 9783659900907
Neu
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paperback. Zustand: New. NEW. SHIPS FROM MULTIPLE LOCATIONS. book. Bestandsnummer des Verkäufers ERICA82336599009076
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