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First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of SrTiO3
Authors: Carrasco, J.; Illas, F.; Lopez, N.; Kotomin, E. A.; Zhukovskii, Yu. F.; Evarestov, R. A.; Mastrikov, Y. A.; Piskunov, S.; Maier, J.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Physical Review B
Volume: 73
Issue / Number: 6
Sequence Number of Article: 064106
Document Type: Article
ID: 273477.0
Ab initio calculations of the BaTiO3 (100) and (110) surfaces
Authors: Eglitis, R. I.; Borstel, G.; Heifets, E.; Piskunov, S.; Kotomin, E.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Journal of Electroceramics
Volume: 16
Issue / Number: 4
Start Page: 289
End Page: 292
Document Type: Article
ID: 306018.0
Ab initio calculations of the atomic and electronic structure of layered Ba0.5Sr0.5TiO3 structures
Authors: Piskunov, S.; Kotomin, E. A.; Fuks, D.; Dorfman, S.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Materials Science and Engineering B
Volume: 118
Issue / Number: 1-3
Start Page: 15
End Page: 18
Document Type: Article
ID: 244329.0
Ab initio thermodynamics of BacSr(1-c)TiO3 solid solutions
Authors: Fuks, D.; Dorfman, S.; Piskunov, S.; Kotomin, E. A.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Physical Review B
Volume: 71
Issue / Number: 1
Sequence Number of Article: 014111
Document Type: Article
ID: 244247.0
Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces
Authors: Piskunov, S.; Kotomin, E. A.; Heifets, E.; Maier, J.; Eglitis, R. I.; Borstel, G.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Surface Science
Volume: 575
Issue / Number: 1-2
Start Page: 75
End Page: 88
Document Type: Article
ID: 244237.0
First principles simulations of F centers in cubic SrTiO3
Authors: Carrasco, J.; Illas, F.; Lopez, N.; Kotomin, E. A.; Zhukovskii, Y. F.; Piskunov, S.; Maier, J.; Hermansson, K.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: physica status solidi (c)
Volume: 2
Start Page: 153
End Page: 158
Document Type: Article
ID: 261319.0
Electronic properties of layered Ba0.5Sr0.5TiO3 heterostructure: Ab initio hybrid density functional calculations
Authors: Dorfman, S.; Piskunov, S.; Kotomin, E. A.; Fuks, D.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Physica Scripta
Volume: T118
Start Page: 276
End Page: 279
Document Type: Article
ID: 273575.0
Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces
Authors: Eglitis, R. I.; Piskunov, S.; Heifets, E.; Kotomin, E. A.; Borstel, G.
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Ceramics International
Volume: 30
Start Page: 1989
End Page: 1992
Document Type: Article
ID: 213082.0
Single impurities in insulators: Ab initio study of Fe-doped SrTiO3
Authors: Evarestov, R. A.; Piskunov, S.; Kotomin, E. A.; Borstel, G.
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Physical Review B
Volume: 67
Issue / Number: 6
Sequence Number of Article: 064101
Document Type: Article
ID: 64596.0
Study of the electronic and atomic structure of thermally treated SrTiO3 (110) surfaces
Authors: Gunhold, A.; Beuermann, L.; Gömann, K.; Borchardt, G.; Kempter, V.; Maus-Friedrichs, W.; Piskunov, S.; Kotomin, E. A.; Dorfman, S.
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Surface and Interface Analysis
Volume: 35
Start Page: 998
End Page: 1003
Document Type: Article
ID: 192734.0
Entries: 1-10  
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