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Study of Cubic and Hexagonal Yttrium Manganite: Using Hubbard U Correction to DFT - Couverture souple

Dasa, Tamene Regassa

 
9783838386287: Study of Cubic and Hexagonal Yttrium Manganite: Using Hubbard U Correction to DFT
Couverture souple
ISBN 10 : 3838386280 ISBN 13 : 9783838386287
Editeur : LAP LAMBERT Academic Publishing, 2010

Synopsis

Materials which are both ferromagnetic and ferroelectric like yttrium manganite have interesting features and applications as non-volatile memory devices. In this book different properties of Yttrium Manganite is investigated using first principle calculation on cubic and Hexagonal structures. Electronic structures, phonon modes and structural stabilities are one of the properties that has been discussed. DFT calculations of such strongly correlated materials shows metallic ground state though they are insulators. In order to correct this we implement Generalized Gradiednt Approximation (GGA) plus Hubbard U correction to density functional theory found interesting results. All the results in this book were done using electronic structure simulation code, Quantum Espresso (QE).

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Materials which are both ferromagnetic and ferroelectric like yttrium manganite have interesting features and applications as non-volatile memory devices. In this book different properties of Yttrium Manganite is investigated using first principle calculation on cubic and Hexagonal structures. Electronic structures, phonon modes and structural stabilities are one of the properties that has been discussed. DFT calculations of such strongly correlated materials shows metallic ground state though they are insulators. In order to correct this we implement Generalized Gradiednt Approximation (GGA) plus Hubbard U correction to density functional theory found interesting results. All the results in this book were done using electronic structure simulation code, Quantum Espresso (QE).

Biographie de l'auteur

MSc, BSc: Studied Materials science and Physics at Addis Ababa University. Junior Researcher and student - Nano-Micro systems, Univetsity of Trento, Italy. Interested in DFT calculations of strongly correlated materials and ab initio simulation of photonic waveguides.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2010
Langue
anglais
ISBN 10 
3838386280
ISBN 13 
9783838386287
Reliure
Broché
Nombre de pages
64
Coordonnées du fabricant
non disponible
Personne responsable
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