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- PublisherLAP LAMBERT Academic Publishing
- Publication date2014
- ISBN 10 3659597600
- ISBN 13 9783659597602
- BindingPaperback
- LanguageEnglish
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Calculation the structure and electronic properties of TaB2 using DFT
Published by
LAP LAMBERT Academic Publishing Okt 2014, 2014
ISBN 10: 3659597600
ISBN 13: 9783659597602
New
Taschenbuch
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: 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. Seller Inventory # 9783659597602
Quantity: 2 available
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Calculation the structure and electronic properties of TaB2 using DFT
Published by
LAP LAMBERT Academic Publishing, 2014
ISBN 10: 3659597600
ISBN 13: 9783659597602
New
Taschenbuch
Seller: AHA-BUCH GmbH, Einbeck, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: 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. Seller Inventory # 9783659597602
Quantity: 1 available
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Calculation the structure and electronic properties of TaB2 using DFT
Published by
LAP LAMBERT Academic Publishing, 2014
ISBN 10: 3659597600
ISBN 13: 9783659597602
New
Softcover
Seller: moluna, Greven, Germany
Seller rating 5 out of 5 stars
Condition: 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. Seller Inventory # 513583312
Quantity: Over 20 available