Publications in Scientific Journals:

S. Khmelevskyi, P. Mohn, J. Redinger, H. Michor:
"Electronic structure of the layered diboride dicarbide superconductor YB2C2";
Superconductor Science and Technology, 18 (2005), 422 - 426.

English abstract:
The electronic structure of the layered diboride dicarbide superconductor
YB2C2 is calculated using the full potential LAPW method within the
framework of ab initio density functional theory. Our results confirm that
the crystal structure with P4/mbm symmetry is more stable than the
originally claimed P42c structure, which is in accordance with recent
interpretations of the diffraction patterns of other related compounds of
LaB2C2-type. It is found that the metallic conductivity in the stable
P4/mbm structure is due to Y d-bands partially hybridized with pz-states
from the B-C planes. Thus the structure of the conduction bands differs
from those found in MgB2. However, a large portion of the Fermi surface of
YB2C2 exhibits distinctive two-dimensional features, which can make this
compound interesting for experimental studies on superconductivity
connected to effects of strong electronic structure anisotropy.

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Created from the Publication Database of the Vienna University of Technology.