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ID 20761
file
creator
Nishikayama, Yusuke
subject
Y2C3
electronic structure
Fermi surface
Fermi velocity
first-principles calculations
superconductivity
NDC
Physics
abstract
The electronic and structural properties of Y2C3 are studied from first principles. We optimize all the structural parameters, the lattice constant and internal atomic positions, assuming the observed crystal structure symmetry. We also examine the lattice-constant and the C dimer bond length dependences of the electronic properties of Y2C3. It is found that there is a peak structure in close vicinity to the Fermi energy in the density of states for the optimized structure at all the lattice constants studied. This peak structure comes from a flat band along ΓN line.
journal title
Journal of the Physical Society of Japan
volume
Volume 76
issue
Issue 6
start page
064714-1
end page
064714-5
date of issued
2007-06
publisher
日本物理学会
issn
0031-9015
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
author
rights
Copyright (c) 2007 The Physical Society of Japan
relation url
department
Graduate School of Advanced Sciences of Matter