Abstract
We present results of precise local-density calculations of the electronic structure for the superconducting spinel oxide LiTi2O4 as obtained with the full-potential linearized augmented-plane-wave method. Self-consistent calculations are performed for both the observed (distorted) and ideal (undistorted) spinel structures. The results show important changes in the electronic states near EF between the two structures. Unlike the case of Cu d states in the high-Tc Cu-O superconductors, the Ti d bands are separated by an 2.6-eV energy gap from the O p bands, and are further split into t2g and eg bands. The states around EF have predominant Ti d character, with a substantial hybridization with O p states. Crude rigid-ion calculations indicate that, unlike the case of the Cu-O materials, superconductivity of LiTi2O4 can be due to an electron-phonon mechanism.
| Original language | English |
|---|---|
| Pages (from-to) | 11352-11357 |
| Number of pages | 6 |
| Journal | Physical Review B |
| Volume | 38 |
| Issue number | 16 |
| DOIs | |
| Publication status | Published - 1988 |
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- Condensed Matter Physics
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Electronic structure and properties of superconducting LiTi2O4. / Massidda, S.; Yu, Jaejun; Freeman, Arthur J.
In: Physical Review B, Vol. 38, No. 16, 1988, p. 11352-11357.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Electronic structure and properties of superconducting LiTi2O4
AU - Massidda, S.
AU - Yu, Jaejun
AU - Freeman, Arthur J
PY - 1988
Y1 - 1988
N2 - We present results of precise local-density calculations of the electronic structure for the superconducting spinel oxide LiTi2O4 as obtained with the full-potential linearized augmented-plane-wave method. Self-consistent calculations are performed for both the observed (distorted) and ideal (undistorted) spinel structures. The results show important changes in the electronic states near EF between the two structures. Unlike the case of Cu d states in the high-Tc Cu-O superconductors, the Ti d bands are separated by an 2.6-eV energy gap from the O p bands, and are further split into t2g and eg bands. The states around EF have predominant Ti d character, with a substantial hybridization with O p states. Crude rigid-ion calculations indicate that, unlike the case of the Cu-O materials, superconductivity of LiTi2O4 can be due to an electron-phonon mechanism.
AB - We present results of precise local-density calculations of the electronic structure for the superconducting spinel oxide LiTi2O4 as obtained with the full-potential linearized augmented-plane-wave method. Self-consistent calculations are performed for both the observed (distorted) and ideal (undistorted) spinel structures. The results show important changes in the electronic states near EF between the two structures. Unlike the case of Cu d states in the high-Tc Cu-O superconductors, the Ti d bands are separated by an 2.6-eV energy gap from the O p bands, and are further split into t2g and eg bands. The states around EF have predominant Ti d character, with a substantial hybridization with O p states. Crude rigid-ion calculations indicate that, unlike the case of the Cu-O materials, superconductivity of LiTi2O4 can be due to an electron-phonon mechanism.
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U2 - 10.1103/PhysRevB.38.11352
DO - 10.1103/PhysRevB.38.11352
M3 - Article
VL - 38
SP - 11352
EP - 11357
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 16
ER -