Theoretical and Experimental Solid State Physics
Language: English
Published by LAP LAMBERT Academic Publishing Okt 2014, 2014
- Softcover
- New
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, GermanyBuchWeltWeit Ludwig Meier e.K.
AbeBooks seller since January 11, 2012
Condition: New
£ 48.06
Quantity: 2 available
Add to basketItem description from seller
This item is printed on demand - it takes 3-4 days longer - Neuware -Density Functional Theory has proved to be a fast and efficient method for calculating various properties of solid insulating materials. From our studies, we have observed that calculations of the structural and electronic properties of alkali metal hydrides LiH, NaH, KH, RbH and CsH) and alkaline earth metal hydrides (BeH2, MgH2, CaH2, SrH2 and BaH2) reveal the exact problem with the description for these compounds within PBE formulation of generalized gradient approximation (GGA), which is our principal focus.Generally, for the hydrides accurate calculation of the band gap requires computationally extensive approach as GW method or time-dependent DFT. In this work, a new and more efficient method, GGA + U, which significantly improves the description of the electronic structure in DFT has been used; thus, in this proposed method, our results were in agreement with other theoretical and experimental results obtained by other investigators. GGA+U approach is based on the Hubbard model applied for exchange-correlation function to hydrogen atoms, even though the metal hydrides are not strongly correlated materials. 228 pp. Englisch.…
Seller Inventory # 9783659586439
- Title
- Theoretical and Experimental Solid State Physics
- Author
- Uko Ofe
- Publisher
- LAP LAMBERT Academic Publishing Okt 2014
- Publication year
- 2014
- Condition
- Neu
- Binding
- Taschenbuch
- Language
- English
- ISBN 10
- 3659586439
- ISBN 13
- 9783659586439
- Item weight
- 358 grams
- Dimensions
- 220x150x14 mm
"Synopsis" may belong to another edition of this title.
About the Author
"About the title" may belong to another edition of this title.
BuchWeltWeit Ludwig Meier e.K.
Bergisch Gladbach, Germany
AbeBooks seller since January 11, 2012
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