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National Repository of Grey Literature 2 records found  Search took 0.01 seconds. 
Stability of iron, cobalt and nickel carbides and nitrides from first principles
 Svatoň, Josef ; Vřešťál, Jan (referee) ; Šob, Mojmír (advisor)
The present hesis is devoted to crystal structure stability of cobalt and nickel carbides and nitrides and exactly structures NiC and CoN. In this case we understand this structure as lowest energetic status which the crystals are in. Using computational program ABINIT we get numerical solutions of electronic structers to predicate staility of chosen structures. All structures are compared with experimental observation. The total energies and the electronic structures are calculated by means of pseudopotencial method implemented in ABINIT. As a solution of my observation consider I the structures of the zincblende for both solids NiC and CoN, thus face centered cubic structure.
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Stability of iron, cobalt and nickel carbides and nitrides from first principles
 Svatoň, Josef ; Vřešťál, Jan (referee) ; Šob, Mojmír (advisor)
The present hesis is devoted to crystal structure stability of cobalt and nickel carbides and nitrides and exactly structures NiC and CoN. In this case we understand this structure as lowest energetic status which the crystals are in. Using computational program ABINIT we get numerical solutions of electronic structers to predicate staility of chosen structures. All structures are compared with experimental observation. The total energies and the electronic structures are calculated by means of pseudopotencial method implemented in ABINIT. As a solution of my observation consider I the structures of the zincblende for both solids NiC and CoN, thus face centered cubic structure.
Detailed record

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