Calculation the structure and electronic properties of TaB2 using DFT - Couverture souple

Masoudi, Maryam

9783659597602: Calculation the structure and electronic properties of TaB2 using DFT

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ISBN 10 : 3659597600 ISBN 13 : 9783659597602

Editeur : LAP LAMBERT Academic Publishing, 2014

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�diteur: LAP LAMBERT Academic Publishing
Date d'�dition: 2014
Langue: anglais
ISBN 10: 3659597600
ISBN 13: 9783659597602
Reliure: Broch�
Nombre de pages: 68
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Calculation the structure and electronic properties of TaB2 using DFT

Maryam Masoudi

Edit� par LAP LAMBERT Academic Publishing Okt 2014, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Borides of transition metals are rather attractive materials for wide scale application in various fields of machine-building, metallurgy, instrument-making, chemical industry, etc. In this work, structural parameters and electronic properties of Tantalum diboride (TaB2) compound have been calculated and investigated in hexagonal phase with p6/mmm space group. The calculations have been performed with ultrasoft pseudopotential in the frame work of Density Functional Theory (DFT). Density functional theory provides a powerful tool for computations of the quantum state of atoms, molecules and solids, and of ab-initio molecular dynamics. These calculations have been done by using the plane waves (pw) method that implemented in Quantum Espresso package. 68 pp. Englisch. N� de r�f. du vendeur 9783659597602

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Calculation the structure and electronic properties of TaB2 using DFT

Masoudi, Maryam

Edit� par LAP LAMBERT Academic Publishing, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Calculation the structure and electronic properties of TaB2 using DFT

Masoudi, Maryam

Edit� par LAP LAMBERT Academic Publishing, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Calculation the structure and electronic properties of TaB2 using DFT

Masoudi, Maryam

Edit� par LAP LAMBERT Academic Publishing, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Calculation the structure and electronic properties of TaB2 using DFT

Maryam Masoudi

Edit� par LAP LAMBERT Academic Publishing, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Kartoniert / Broschiert. Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Masoudi MaryamI am maryam masoudi, and graduated in Physics from IUT, Iran in 2008. I have got my M.S in Solid states Physics in 2011 from PNU, Iran. My main research interestes include computational Physics. I teach in university, t. N� de r�f. du vendeur 513583312

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Calculation the structure and electronic properties of TaB2 using DFT

Maryam Masoudi

Edit� par LAP LAMBERT Academic Publishing Okt 2014, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -Borides of transition metals are rather attractive materials for wide scale application in various fields of machine-building, metallurgy, instrument-making, chemical industry, etc. In this work, structural parameters and electronic properties of Tantalum diboride (TaB2) compound have been calculated and investigated in hexagonal phase with p6/mmm space group. The calculations have been performed with ultrasoft pseudopotential in the frame work of Density Functional Theory (DFT). Density functional theory provides a powerful tool for computations of the quantum state of atoms, molecules and solids, and of ab-initio molecular dynamics. These calculations have been done by using the plane waves (pw) method that implemented in Quantum Espresso package.VDM Verlag, Dudweiler Landstra�e 99, 66123 Saarbr�cken 68 pp. Englisch. N� de r�f. du vendeur 9783659597602

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Calculation the structure and electronic properties of TaB2 using DFT

Maryam Masoudi

Edit� par LAP LAMBERT Academic Publishing, 2014

ISBN 10 : 3659597600 ISBN 13 : 9783659597602

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Taschenbuch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Borides of transition metals are rather attractive materials for wide scale application in various fields of machine-building, metallurgy, instrument-making, chemical industry, etc. In this work, structural parameters and electronic properties of Tantalum diboride (TaB2) compound have been calculated and investigated in hexagonal phase with p6/mmm space group. The calculations have been performed with ultrasoft pseudopotential in the frame work of Density Functional Theory (DFT). Density functional theory provides a powerful tool for computations of the quantum state of atoms, molecules and solids, and of ab-initio molecular dynamics. These calculations have been done by using the plane waves (pw) method that implemented in Quantum Espresso package. N� de r�f. du vendeur 9783659597602

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