Electronic properties of Y2C3 by first-principles calculations
Journal of the Physical Society of Japan Volume 76 Issue 6
Page 064714-1-064714-5
published_at 2007-06
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| File | |
| Title ( eng ) |
Electronic properties of Y2C3 by first-principles calculations
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| Creator |
Nishikayama Yusuke
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| Source Title |
Journal of the Physical Society of Japan
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| Volume | 76 |
| Issue | 6 |
| Start Page | 064714-1 |
| End Page | 064714-5 |
| 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.
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| Keywords |
Y2C3
electronic structure
Fermi surface
Fermi velocity
first-principles calculations
superconductivity
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| NDC |
Physics [ 420 ]
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
日本物理学会
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| Date of Issued | 2007-06 |
| Rights |
Copyright (c) 2007 The Physical Society of Japan
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| Publish Type | Author’s Original |
| Access Rights | open access |
| Source Identifier |
[ISSN] 0031-9015
[DOI] 10.1143/JPSJ.76.064714
[NCID] AA00704814
[DOI] http://dx.doi.org/10.1143/JPSJ.76.064714
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