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Author:

Li, Rongrong (Li, Rongrong.) | Zhang, Xin (Zhang, Xin.) | Xiao, Yixin (Xiao, Yixin.) | Liu, Yanqin (Liu, Yanqin.)

Indexed by:

EI Scopus SCIE

Abstract:

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.

Keyword:

first principles 12CaO center dot 7Al(2)O(3)electrides electrical transport single crystal

Author Community:

  • [ 1 ] [Li, Rongrong]Beijing Univ Technol, Fac Mat & Mfg, Minist Educ, Key Lab New Funct Mat, Beijing 100124, Peoples R China
  • [ 2 ] [Zhang, Xin]Beijing Univ Technol, Fac Mat & Mfg, Minist Educ, Key Lab New Funct Mat, Beijing 100124, Peoples R China
  • [ 3 ] [Xiao, Yixin]Beijing Univ Technol, Fac Mat & Mfg, Minist Educ, Key Lab New Funct Mat, Beijing 100124, Peoples R China
  • [ 4 ] [Liu, Yanqin]Beijing Univ Technol, Fac Mat & Mfg, Minist Educ, Key Lab New Funct Mat, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Zhang, Xin]Beijing Univ Technol, Fac Mat & Mfg, Minist Educ, Key Lab New Funct Mat, Beijing 100124, Peoples R China

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Source :

JOURNAL OF ELECTRONIC MATERIALS

ISSN: 0361-5235

Year: 2020

Issue: 12

Volume: 49

Page: 7308-7315

2 . 1 0 0

JCR@2022

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:169

Cited Count:

WoS CC Cited Count: 3

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 5

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