Electronic and magnetic properties of second main-group and secondsub-group metals substitution for Al in delafossite CuAlO2

Qi Jun Liu; Fu Sheng Liu; Zheng Tang Liu

doi:10.1016/j.cplett.2015.05.028

Electronic and magnetic properties of second main-group and secondsub-group metals substitution for Al in delafossite CuAlO₂

Qi Jun Liu, Fu Sheng Liu, Zheng Tang Liu

School of Materials Sience and Engineering

Southwest Jiaotong University

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

5 Scopus citations

Abstract

A systematic theoretical investigation has been carried out for the structural, electronic and magnetic properties of second main-group and second sub-group metals substitution for Al in delafossite CuAlO₂in the framework of density functional theory. The structural parameters and formation energies were calculated and discussed. The appearance of enhanced p-type conductivity after doping has been analyzed.Moreover, it is shown that all dopants have relatively large magnetic moments, but their ferromagnetic states are unstable, showing that their potential application in dilute magnetic semiconductors is not applicable.

Original language	English
Pages (from-to)	181-185
Number of pages	5
Journal	Chemical Physics Letters
Volume	633
Issue number	1
DOIs	https://doi.org/10.1016/j.cplett.2015.05.028
State	Published - 2015

Access to Document

10.1016/j.cplett.2015.05.028

Cite this

@article{5e8ebce501f5475ea8e12c5dc8a87dbd,

title = "Electronic and magnetic properties of second main-group and secondsub-group metals substitution for Al in delafossite CuAlO2",

abstract = "A systematic theoretical investigation has been carried out for the structural, electronic and magnetic properties of second main-group and second sub-group metals substitution for Al in delafossite CuAlO2in the framework of density functional theory. The structural parameters and formation energies were calculated and discussed. The appearance of enhanced p-type conductivity after doping has been analyzed.Moreover, it is shown that all dopants have relatively large magnetic moments, but their ferromagnetic states are unstable, showing that their potential application in dilute magnetic semiconductors is not applicable.",

author = "Liu, {Qi Jun} and Liu, {Fu Sheng} and Liu, {Zheng Tang}",

year = "2015",

doi = "10.1016/j.cplett.2015.05.028",

language = "英语",

volume = "633",

pages = "181--185",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "1",

}

TY - JOUR

T1 - Electronic and magnetic properties of second main-group and secondsub-group metals substitution for Al in delafossite CuAlO2

AU - Liu, Qi Jun

AU - Liu, Fu Sheng

AU - Liu, Zheng Tang

PY - 2015

Y1 - 2015

N2 - A systematic theoretical investigation has been carried out for the structural, electronic and magnetic properties of second main-group and second sub-group metals substitution for Al in delafossite CuAlO2in the framework of density functional theory. The structural parameters and formation energies were calculated and discussed. The appearance of enhanced p-type conductivity after doping has been analyzed.Moreover, it is shown that all dopants have relatively large magnetic moments, but their ferromagnetic states are unstable, showing that their potential application in dilute magnetic semiconductors is not applicable.

AB - A systematic theoretical investigation has been carried out for the structural, electronic and magnetic properties of second main-group and second sub-group metals substitution for Al in delafossite CuAlO2in the framework of density functional theory. The structural parameters and formation energies were calculated and discussed. The appearance of enhanced p-type conductivity after doping has been analyzed.Moreover, it is shown that all dopants have relatively large magnetic moments, but their ferromagnetic states are unstable, showing that their potential application in dilute magnetic semiconductors is not applicable.

UR - http://www.scopus.com/inward/record.url?scp=84934950087&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2015.05.028

DO - 10.1016/j.cplett.2015.05.028

M3 - 文章

AN - SCOPUS:84934950087

SN - 0009-2614

VL - 633

SP - 181

EP - 185

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

ER -

Electronic and magnetic properties of second main-group and secondsub-group metals substitution for Al in delafossite CuAlO₂

Abstract

Access to Document

Other files and links

Fingerprint

Cite this