First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms

CORC > 半导体研究所 > 中国科学院半导体研究所 > 半导体超晶格国家重点实验室

	First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms
	Kang J (Kang Jun) ; Zhang Y (Zhang Yang) ; Wen YH (Wen Yu-Hua) ; Zheng JC (Zheng Jin-Cheng) ; Zhu ZZ (Zhu Zi-Zhong)
刊名	physics letters a, 374 (8): 1054-1058 feb 8 2010
	2010
卷号	374 期号:8 页码:1054-1058
关键词	First-principles calculations ZnO nanofilms Electronic properties Quantum effects NANOBELTS NANORINGS WURTZITE ENERGY
通讯作者	wen, yh, xiamen univ, dept phys, xiamen 361005, peoples r china. e-mail address: yhwen@xmu.edu.cn ; jczheng@xmu.edu.cn ; zzhu@xmu.edu.cn
合作状况	国内
英文摘要	first-principles calculations; zno nanofilms; electronic properties; quantum effects； nanobelts; nanorings; wurtzite; energy abstract: using first-principles density-functional calculations, we have studied the structural and electronic properties of ultrathin zno {0001} nanofilms. the structural parameters, the charge densities, band structures and density of states have been investigated. the results show that there are remarkable charge transfers from zn to o atoms in the zoo nanofilms. all the zoo nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. the decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. a staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in zno nanofilms.; submitted by zhangdi (zhangdi@red.semi.ac.cn) on 2010-04-21t16:36:12z no. of bitstreams: 1 first-principles study on the structural and electronic properties of ultrathin zno nanofilms.pdf: 894155 bytes, checksum: 4b2e81e7e1490292b33dcf44ae662a4c (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-04-21t16:45:59z (gmt) no. of bitstreams: 1 first-principles study on the structural and electronic properties of ultrathin zno nanofilms.pdf: 894155 bytes, checksum: 4b2e81e7e1490292b33dcf44ae662a4c (md5); made available in dspace on 2010-04-21t16:45:59z (gmt). no. of bitstreams: 1 first-principles study on the structural and electronic properties of ultrathin zno nanofilms.pdf: 894155 bytes, checksum: 4b2e81e7e1490292b33dcf44ae662a4c (md5) previous issue date: 2010; 国内
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-04-21 ; 2010-10-15
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/11171]
专题	半导体研究所_半导体超晶格国家重点实验室
推荐引用方式 GB/T 7714	Kang J ,Zhang Y ,Wen YH ,et al. First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms[J]. physics letters a, 374 (8): 1054-1058 feb 8 2010,2010,374(8):1054-1058.
APA	Kang J ,Zhang Y ,Wen YH ,Zheng JC ,&Zhu ZZ .(2010).First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms.physics letters a, 374 (8): 1054-1058 feb 8 2010,374(8),1054-1058.
MLA	Kang J ,et al."First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms".physics letters a, 374 (8): 1054-1058 feb 8 2010 374.8(2010):1054-1058.