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pro vyhledávání: '"Heifets, E."'
UO2 and (U,Pu)O2 solid solutions (the so-called MOX) nowadays are used as commercial nuclear fuels in many countries. One of the safety issues during the storage of these fuels is related to their self-irradiation that produces and accumulates point
Externí odkaz:
http://arxiv.org/abs/1001.4066
Combining GGA-plane wave approach as implemented into the VASP - 4.6.19 computer code with a slab model, we studied in detail the atomic and electronic structure of the LaMnO3 surfaces, in both cubic and orthorhombic phases. The results obtained are
Externí odkaz:
http://arxiv.org/abs/0807.1864
We present the results of first-principles calculations on two possible terminations of the (001) surfaces of SrTiO3 (STO), BaTiO3 (BTO), and PbTiO3 (PTO) perovskite crystals. Atomic structure and the electronic configurations were calculated for dif
Externí odkaz:
http://arxiv.org/abs/cond-mat/0405463
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Publikováno v:
In Surface Science 2009 603(2):326-335
Publikováno v:
In Microelectronic Engineering 2005 81(2):472-477
Hybrid DFT calculations of the atomic and electronic structure for ABO 3 perovskite (0 0 1) surfaces
Publikováno v:
In Surface Science 2005 575(1):75-88
Publikováno v:
In Sensors & Actuators: B. Chemical 2004 100(1):81-87
Publikováno v:
In Ceramics International 2004 30(7):1989-1992
Publikováno v:
In Surface Science 2004 566 Part 1:231-235