Electronic Structures and Conductivities in RECrO<sub>3</sub> Systems

QING Jia; CHEN Ning; MA Li; LI Yang; LIU Senying

doi:10.13374/j.issn1001-053x.2001.05.011

Volume 23 Issue 5

Aug. 2021

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QING Jia, CHEN Ning, MA Li, LI Yang, LIU Senying. Electronic Structures and Conductivities in RECrO3 Systems[J]. Chinese Journal of Engineering, 2001, 23(5): 429-431. doi: 10.13374/j.issn1001-053x.2001.05.011

Citation:

QING Jia, CHEN Ning, MA Li, LI Yang, LIU Senying. Electronic Structures and Conductivities in RECrO₃ Systems[J]. Chinese Journal of Engineering, 2001, 23(5): 429-431. doi: 10.13374/j.issn1001-053x.2001.05.011

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Electronic Structures and Conductivities in RECrO₃ Systems

doi: 10.13374/j.issn1001-053x.2001.05.011

1. Department of Physical Chemistry, UST Beijing, Beijing 100083;
2. School of Material Science and Technology, UST Beijing, Beijing 100083;
3. Beijing General Institute of Iron and Steel, Beijing, 100081

Received Date: 2001-12-09

Abstract

Abstract

Some electronic structure properties of the densities of energy states, Fermi Energies and Energy Gaps in the systems of RE₄Cr₂O₉(RE=La,Pr,Nd,Sm,Gd,Dy,Ho,Er) are calculated by means of SCF-Xa-SW methods. Compared with the conductivity properties of RECrO₃, the relations between the electronic structure and conductivities are studied. The result shows that,with the increase of the atomic number of RE, their densities of energy states increases (mainly due to f electrons) and the non-f electrons decreases gradually. Therefore the conductivity has no relation with that of f electrons of RE. This is the main reason that the conductivity decreases with the increase of atomic number of RE.
- rare earth,
- conductive ceramics,
- electronic structure,