First-Principles Study on C3N4 Intermediate Band Materials

被引：0

作者：

Yin, Jianbo ^{[1
,2
]}

Yan, Xiaobin ^{[2
]}

Zhu, Min ^{[1
]}

机构：

[1] Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China

[2] Lanzhou Univ Technol, Sch Mat Sci & Engn, Lanzhou 730050, Peoples R China

来源：

JOURNAL OF ELECTRONIC MATERIALS | 2023年 / 52卷 / 01期

关键词：

First principles; carbon nitride; intermediate band; vanadium; CELL;

D O I：

10.1007/s11664-022-09996-8

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The electronic structures and optical properties of cubic C3N4 doped by vanadium (V) were investigated by first principles. The calculation results of the electronic structure show that V-doped cubic C3N4 can produce two intermediate bands around the Fermi level. The calculation results of the optical properties show that V doping can significantly increase the light absorption of cubic C3N4 in UV-visible region. Therefore, the overall calculated results show that V-doped cubic C3N4 can produce new intermediate band structures and improve the optical performance of the material.

引用

页码：376 / 383

页数：8

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