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Fe-Al-C carbide phase nano-layer investigation as a substrate for epitaxial diamond growth.

Mekhed A - Nanoscale Res Lett (2015)

Bottom Line: Calculations of electron structure of supercells consisting of several layers of ordinary stoichiometric K-phase and modified K-phase, on which according to our assumptions epitaxial growth of diamonds is possible, were conducted.Stability of calculated cells was considered, and optimal number of layers of the stoichiometric K-phase in the supercell was determined in order for it to be thermodynamically stable.Electronic structure of carbon in the modified K-phase layer was considered and compared to electron structure of carbon in diamond.

View Article: PubMed Central - PubMed

Affiliation: G. V. Kurdyumov Institute for Metal Physics of the N.A.S. of Ukraine, 36 Academician Vernadsky Boulevard UA-03680, Kyiv -142, Ukraine.

ABSTRACT
Calculations of electron structure of supercells consisting of several layers of ordinary stoichiometric K-phase and modified K-phase, on which according to our assumptions epitaxial growth of diamonds is possible, were conducted. Stability of calculated cells was considered, and optimal number of layers of the stoichiometric K-phase in the supercell was determined in order for it to be thermodynamically stable. Electronic structure of carbon in the modified K-phase layer was considered and compared to electron structure of carbon in diamond.

No MeSH data available.


Unit cells of K-phase. Unit cells of K-phase: stoichiometric cell and modified unit cell of K-phase shifted along the vector [½ ½ ½].
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Fig1: Unit cells of K-phase. Unit cells of K-phase: stoichiometric cell and modified unit cell of K-phase shifted along the vector [½ ½ ½].

Mentions: Figure 1 shows a unit cell corresponding to the stoichiometric composition of the K-phase (on the left) and slightly modified unit cell (on the right) which was shifted towards the vector [½ ½ ½] (for clarity) and which has a carbon atom in place of octahedral pore. We assumed that this atom is deposited there during thermobaric treatment, and a layer containing this atom is the surface layer on which epitaxial growth of diamond is happening.Figure 1


Fe-Al-C carbide phase nano-layer investigation as a substrate for epitaxial diamond growth.

Mekhed A - Nanoscale Res Lett (2015)

Unit cells of K-phase. Unit cells of K-phase: stoichiometric cell and modified unit cell of K-phase shifted along the vector [½ ½ ½].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4385047&req=5

Fig1: Unit cells of K-phase. Unit cells of K-phase: stoichiometric cell and modified unit cell of K-phase shifted along the vector [½ ½ ½].
Mentions: Figure 1 shows a unit cell corresponding to the stoichiometric composition of the K-phase (on the left) and slightly modified unit cell (on the right) which was shifted towards the vector [½ ½ ½] (for clarity) and which has a carbon atom in place of octahedral pore. We assumed that this atom is deposited there during thermobaric treatment, and a layer containing this atom is the surface layer on which epitaxial growth of diamond is happening.Figure 1

Bottom Line: Calculations of electron structure of supercells consisting of several layers of ordinary stoichiometric K-phase and modified K-phase, on which according to our assumptions epitaxial growth of diamonds is possible, were conducted.Stability of calculated cells was considered, and optimal number of layers of the stoichiometric K-phase in the supercell was determined in order for it to be thermodynamically stable.Electronic structure of carbon in the modified K-phase layer was considered and compared to electron structure of carbon in diamond.

View Article: PubMed Central - PubMed

Affiliation: G. V. Kurdyumov Institute for Metal Physics of the N.A.S. of Ukraine, 36 Academician Vernadsky Boulevard UA-03680, Kyiv -142, Ukraine.

ABSTRACT
Calculations of electron structure of supercells consisting of several layers of ordinary stoichiometric K-phase and modified K-phase, on which according to our assumptions epitaxial growth of diamonds is possible, were conducted. Stability of calculated cells was considered, and optimal number of layers of the stoichiometric K-phase in the supercell was determined in order for it to be thermodynamically stable. Electronic structure of carbon in the modified K-phase layer was considered and compared to electron structure of carbon in diamond.

No MeSH data available.