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Crystal Structure and Electronic Structure of Uranium Nitrides

Progress in Chemistry ›› 2018, Vol. 30 ›› Issue (12) : 1803 -1818.

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Progress in Chemistry ›› 2018, Vol. 30 ›› Issue (12) : 1803-1818 DOI: 10.7536/PC180303
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Crystal Structure and Electronic Structure of Uranium Nitrides
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Abstract

Uranium nitrides have aroused more and more attention due to their unique physical and chemical properties and their excellent performance in applications such as nuclear fuel and anti-corrosion coating for uranium metal. In U-N system, five structures of uranium nitrides, including NaCl-type UN, HgIn-type UN, Mn2O3-type α-U2N3, La2O3-type β-U2N3 and CaF2-type UN2, have been identified and studied extensively. Up to now, because of the complex nonstoichiometric problems of uranium nitrides, the understanding of the transformation relationship between these phases is still ambiguous. In addition, the basic physical properties of uranium nitrides have been fundamentally changed due to the difference in electronic structures of uranium nitrides with different nitrogen content. The studies of the crystal structure and electronic structure of uranium nitrides are the first step in exploring the causes of their excellent performances, and have attracted much attention in recent years. Based on the analysis and summary of the literatures, as well as the research results of our group, this paper reviews the main progress in the study of the crystal structure and electronic structure of uranium nitrides. The phase transformation and electronic structure evolutions of uranium nitrides are summarized, which is expected to provide reference for the experimental studies and functional applications of uranium nitrides.
Contents
1 Introduction
2 Composition and crystal structure of uranium nitrides
2.1 Crystal structure of UN
2.2 Crystal structure of U2N3
2.3 Crystal structure of UN2
3 Phase relation of uranium nitrides
3.1 Phase relation between NaCl type UN and R3m type UN
3.2 Phase relation between NaCl type UN and U2N3
3.3 Phase relation between α-U2N3 and β-U2N3
3.4 Phase relation between UN2 and α-U2N3
3.5 Phase transition mechanism of uranium nitrides
4 Electronic structures of uranium nitrides
4.1 Electronic structure of UN
4.2 Electronic structure of nitrogen-rich nitrides
5 Conclusion and outlook

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Keywords

uranium nitrides / crystal structure / phase transition / electronic structure

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Xiaofang Wang, Yin Hu, Qifa Pan, Ruilong Yang, Zhong Long, Kezhao Liu. Crystal Structure and Electronic Structure of Uranium Nitrides. Progress in Chemistry, 2018, 30(12): 1803-1818 DOI:10.7536/PC180303

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