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author:

Hu Xiao-Lin (Hu Xiao-Lin.) [1] (Scholars:胡晓琳) | Li Jun-Qian (Li Jun-Qian.) [2] | Zhang Yong-Fan (Zhang Yong-Fan.) [3] (Scholars:章永凡) | Li Hao-Hong (Li Hao-Hong.) [4] (Scholars:李浩宏) | Li Yi (Li Yi.) [5] (Scholars:李奕)

Indexed by:

SCIE CSCD

Abstract:

The absorption and emission spectra of the wurtzite Mn-doped GaN were calculated with cluster models. The predicted lattice parameters become slightly larger than those of undoped cluster. The average bond length of Mn-N is longer than that of Go-N. Spin density shows that one Mn atom in these clusters has four single electrons with the same direction of the spin polarity The new energy level with light Mn-doping appears at 1.37 eV above the valance band. The absorption spectra of Mn-doped GaN cover the visible light region. The calculated emission spectra show that the green luminescence of GaN material in experiment did not result from Mn dopant. With the increase of Mn doping, the emission intensity of yellow or blue band increases to different extent and the band-to-band emission band shows red shift from peak at 3.34 to 3.24 eV.

Keyword:

gallium nitride Mn-doped GaN optical property TDDFT

Community:

  • [ 1 ] [Hu Xiao-Lin]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Li Jun-Qian]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Zhang Yong-Fan]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Li Hao-Hong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 5 ] [Li Yi]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • 李俊钱

    [Li Jun-Qian]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2010

Issue: 3

Volume: 29

Page: 476-482

0 . 6 2 4

JCR@2010

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 2

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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