Research on electronic structures and optical properties of zinc-blende aluminum nitride doped with transition metals from first-principles

doi:10.1142/S0217984918502202

	Research on electronic structures and optical properties of zinc-blende aluminum nitride doped with transition metals from first-principles
	Lu, Xuefeng 1,2; Zhao, Tingting 1; Ren, Junqiang 1; Guo, Xin 1; Yan, Xiaobin 1; La, Peiqing 1,2
刊名	MODERN PHYSICS LETTERS B
	2018-07-10
卷号	32 期号:19
关键词	Aluminum nitride transition metals electronic structures optical properties first-principles
ISSN号	0217-9849
DOI	10.1142/S0217984918502202
英文摘要	Electronic structures and optical properties of zinc-blende aluminum nitride doped with transition metals are investigated. Lu-doped system possesses the most considerate stability with the lowest formation energy of -9.033 eV compared to others. Band structures of systems are introduced to investigate a more excellent semiconductor capacity for Re-doped system with a band gap (E-G) of 0.689 eV, with others having band gaps of 2.120, 2.159, 1.806, 1.837 and 0.879 eV, respectively, much smaller than that of pristine one, 3.113 eV. Moreover, absorption spectra curve reaches the lowest peak of 2.558 x 10(5) cm(-1) for Os-doped system; simultaneously, the system exhibits a relatively negative reflectivity spectra and dielectric loss of 5.620 eV that are extensively expected in solar cell industry, predicting its broad scope of application prospects in photoelectric and microelectronic devices.
资助项目	National Natural Science Foundation of China[51662026][51402142][51561020] ; China Postdoctoral Science Foundation[2015M572615][2016T90959] ; Gansu Provincial Youth Science and Technology Fund Projects[1606RJZA157][1610RJZA005][1610RJZA014] ; Program for Hong Liu Young Teachers in Lanzhou University of Technology[Q201401]
WOS研究方向	Physics
语种	英语
出版者	WORLD SCIENTIFIC PUBL CO PTE LTD
WOS记录号	WOS:000438224000012
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/32558]
专题	材料科学与工程学院省部共建有色金属先进加工与再利用国家重点实验室
通讯作者	Lu, Xuefeng
作者单位	1.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Gansu, Peoples R China 2.Lanzhou Univ Technol, Key Lab Nonferrous Met Alloys & Proc, Minist Educ, Lanzhou 730050, Gansu, Peoples R China
推荐引用方式 GB/T 7714	Lu, Xuefeng,Zhao, Tingting,Ren, Junqiang,et al. Research on electronic structures and optical properties of zinc-blende aluminum nitride doped with transition metals from first-principles[J]. MODERN PHYSICS LETTERS B,2018,32(19).
APA	Lu, Xuefeng,Zhao, Tingting,Ren, Junqiang,Guo, Xin,Yan, Xiaobin,&La, Peiqing.(2018).Research on electronic structures and optical properties of zinc-blende aluminum nitride doped with transition metals from first-principles.MODERN PHYSICS LETTERS B,32(19).
MLA	Lu, Xuefeng,et al."Research on electronic structures and optical properties of zinc-blende aluminum nitride doped with transition metals from first-principles".MODERN PHYSICS LETTERS B 32.19(2018).