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A single-crystal Ca24Al28O66 electride (C12A7:e(-)) with a length of 20 mm and a diameter of 10 mm was prepared in one step by the optical zone melting Al reduction method. The added Al powder not only serves as a composition component, but also serves as anin situreducing agent for the preparation of single-crystal C12A7:e(-) The results of phase and structure analyses show that the prepared single-crystal C12A7:e(-) has good single crystal quality. The electrical properties and electronic state analysis results show that single-crystal C12A7:e exhibits a sharp Raman absorption peak of electron injection at 100-400 cm(--1), and an ultraviolet absorption peak at 2.8 eV. This indicates that the preparation method achieves effective electron injection while forming a single-crystal C12A7 structure. It is calculated that the electron concentration of single-crystal C12A7:e(-) with an Al powder content of 0.5 reaches 1.2 x 10(18) cm(-3). The results of first-principles calculations show that the single-crystal C12A7:e(-) has a cage-cavity conduction band (CCB) between - 1 eV and 0.7 eV, which is beneficial to electrical performance. The excellent electrical properties of single-crystal C12A7:e(-) are mainly derived from the contribution of d-state electrons of the Ca atoms.
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