Lattice dynamics calculation of infrared active modes of cuprate superconductors
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00017227
ID | 17227 |
file | |
creator |
Hasegawa, T.
Kondo, T.
Kawashima, H.
Akimitsu, J.
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subject | ab-initio calculation
phonon
cuprate
apical oxygen
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NDC |
Physics
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abstract | We have calculated the highest-energy infrared active Eu mode for three cuprate compounds with and without apical ions, in order to investigate the experimental energy-difference between T- and T′-structures. The calculated energies show the similar Cu-O bond length dependence to the experimental results. The calculated spin densities of the T-structure have more electrons in the dx2- y2 orbital than that of the T′-structure. This means that the CuO2 plane in the T-structure is compressed, in comparison with the T′-structure even with the same Cu-O bond length. This compression increases the energy of the Eu mode in the T-structure. This is the clear evidence that the block layer is important for the electronic state on the CuO2 plane.
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journal title |
Physica B: Condensed Matter
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volume | Volume 383
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issue | Issue 1
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start page | 86
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end page | 88
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date of issued | 2006-08-15
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publisher | Elsevier B.V.
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issn | 0921-4526
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ncid | |
publisher doi | |
language |
eng
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nii type |
Journal Article
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HU type |
Journal Articles
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DCMI type | text
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format | application/pdf
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text version | author
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rights | Copyright (c) 2006 Elsevier B. V.
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relation is version of URL | http://dx.doi.org/10.1016/j.physb.2006.03.065
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department |
Graduate School of Integrated Arts and Sciences
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