Investigations on p- and n-type diluted magnetic semiconductors X/Mn-codoped LiZnN (X= Li, Na and K)

Y. Cui; J. G. Zhu; H. L. Tao; Y. Liang; M. F. Wang; L. Li; M. He; B. Song; Z. H. Zhang

doi:10.1016/j.jallcom.2019.153235

Investigations on p- and n-type diluted magnetic semiconductors X/Mn-codoped LiZnN (X= Li, Na and K)

Y. Cui
, J. G. Zhu
, H. L. Tao
, Y. Liang
, M. F. Wang
, L. Li
, M. He
, B. Song
, Z. H. Zhang^*

^*Corresponding author for this work

School of Astronautics

Dalian Jiaotong University
Dalian Minzu University

Research output: Contribution to journal › Article › peer-review

Abstract

First principle calculation was performed to discuss electronic structures and magnetic properties of X/Mn-codoped LiZnN (X = Li, Na and K) systems. The X/Mn-codoped LiZnN (X = Li, Na and K) systems were magnetic, and Li/Mn-codoped LiZnN system had the most stable structure. In contrast with interstitial atoms, Li⁺, Na⁺ and K⁺ replacing Zn²⁺ ions was preferred in the Mn-doped LiZnN system. The n-type Li₁₇(Zn₁₄Mn₂)N₁₆ and Li₁₆K(Zn₁₄Mn₂)N₁₆, and p-type Li₁₆(Zn₁₃MnNa)N₁₆ systems had ferromagnetic orderings. The origin of ferromagnetism for X/Mn-codoped LiZnN (X = Li, Na and K) system could be explained by p-d hybridization coupling, and the magnetic moments were mainly provided by the 3d states of Mn.

Original language	English
Article number	153235
Journal	Journal of Alloys and Compounds
Volume	821
DOIs	https://doi.org/10.1016/j.jallcom.2019.153235
State	Published - 25 Apr 2020

Keywords

Carrier
First-principles calculation
LiZnN
Magnetic properties and electronic structure

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10.1016/j.jallcom.2019.153235

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@article{8f9382a3ddca43c186610623b3d4ca09,

title = "Investigations on p- and n-type diluted magnetic semiconductors X/Mn-codoped LiZnN (X= Li, Na and K)",

abstract = "First principle calculation was performed to discuss electronic structures and magnetic properties of X/Mn-codoped LiZnN (X = Li, Na and K) systems. The X/Mn-codoped LiZnN (X = Li, Na and K) systems were magnetic, and Li/Mn-codoped LiZnN system had the most stable structure. In contrast with interstitial atoms, Li+, Na+ and K+ replacing Zn2+ ions was preferred in the Mn-doped LiZnN system. The n-type Li17(Zn14Mn2)N16 and Li16K(Zn14Mn2)N16, and p-type Li16(Zn13MnNa)N16 systems had ferromagnetic orderings. The origin of ferromagnetism for X/Mn-codoped LiZnN (X = Li, Na and K) system could be explained by p-d hybridization coupling, and the magnetic moments were mainly provided by the 3d states of Mn.",

keywords = "Carrier, First-principles calculation, LiZnN, Magnetic properties and electronic structure",

author = "Y. Cui and Zhu, \{J. G.\} and Tao, \{H. L.\} and Y. Liang and Wang, \{M. F.\} and L. Li and M. He and B. Song and Zhang, \{Z. H.\}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2020",

month = apr,

day = "25",

doi = "10.1016/j.jallcom.2019.153235",

language = "英语",

volume = "821",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Investigations on p- and n-type diluted magnetic semiconductors X/Mn-codoped LiZnN (X= Li, Na and K)

AU - Cui, Y.

AU - Zhu, J. G.

AU - Tao, H. L.

AU - Liang, Y.

AU - Wang, M. F.

AU - Li, L.

AU - He, M.

AU - Song, B.

AU - Zhang, Z. H.

PY - 2020/4/25

Y1 - 2020/4/25

N2 - First principle calculation was performed to discuss electronic structures and magnetic properties of X/Mn-codoped LiZnN (X = Li, Na and K) systems. The X/Mn-codoped LiZnN (X = Li, Na and K) systems were magnetic, and Li/Mn-codoped LiZnN system had the most stable structure. In contrast with interstitial atoms, Li+, Na+ and K+ replacing Zn2+ ions was preferred in the Mn-doped LiZnN system. The n-type Li17(Zn14Mn2)N16 and Li16K(Zn14Mn2)N16, and p-type Li16(Zn13MnNa)N16 systems had ferromagnetic orderings. The origin of ferromagnetism for X/Mn-codoped LiZnN (X = Li, Na and K) system could be explained by p-d hybridization coupling, and the magnetic moments were mainly provided by the 3d states of Mn.

AB - First principle calculation was performed to discuss electronic structures and magnetic properties of X/Mn-codoped LiZnN (X = Li, Na and K) systems. The X/Mn-codoped LiZnN (X = Li, Na and K) systems were magnetic, and Li/Mn-codoped LiZnN system had the most stable structure. In contrast with interstitial atoms, Li+, Na+ and K+ replacing Zn2+ ions was preferred in the Mn-doped LiZnN system. The n-type Li17(Zn14Mn2)N16 and Li16K(Zn14Mn2)N16, and p-type Li16(Zn13MnNa)N16 systems had ferromagnetic orderings. The origin of ferromagnetism for X/Mn-codoped LiZnN (X = Li, Na and K) system could be explained by p-d hybridization coupling, and the magnetic moments were mainly provided by the 3d states of Mn.

KW - Carrier

KW - First-principles calculation

KW - LiZnN

KW - Magnetic properties and electronic structure

UR - https://www.scopus.com/pages/publications/85076236575

U2 - 10.1016/j.jallcom.2019.153235

DO - 10.1016/j.jallcom.2019.153235

M3 - 文章

AN - SCOPUS:85076236575

SN - 0925-8388

VL - 821

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

M1 - 153235

ER -

Investigations on p- and n-type diluted magnetic semiconductors X/Mn-codoped LiZnN (X= Li, Na and K)

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Keywords

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