A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier   Mobility

doi:10.1021/acs.jpclett.6b01291

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	A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier Mobility
	Zhang, Cunzhi ; Sun, Qiang
刊名	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
	2016
关键词	TRANSITION-METAL DICHALCOGENIDES THEORETICAL PREDICTION BLACK PHOSPHORUS MONOLAYER MOS2 GRAPHENE TRANSISTORS ELECTRONIC-STRUCTURE POROUS SILICENE GLOBAL MINIMUM NANORIBBONS TRANSPORT
DOI	10.1021/acs.jpclett.6b01291
英文摘要	Using global particle-swarm optimization method, we report, for the first time, a BeN2 sheet (h-BeN2) with a graphene-like honeycomb lattice but displaying a direct band gap. Symmetry group analysis indicates that the dipole transition is allowed between the conduction band minimum and the valence band maximum. Although the direct band gap of 2.23 eV is close to that (2.14 eV) of MoS2 sheet, the h-BeN2 sheet has additional advantages: the direct band gap feature of the h-BeN2 sheet is quite insensitive to the layer stacking pattern and layer number, in contrast to the well-known direct-to indirect band gap transition observed in TMDs and h-BN sheets. When rolled up, all the resulting h-BeN2 nanotubes have direct band gaps independent of chirality and diameter. Furthermore, the intrinsic acoustic-phonon-limited carrier mobility of the h-BeN2 sheet can reach similar to 10(5) cm(2) V-1 s(-1) for electron and similar to 10(4) cm(2) V-1 s(-1) for hole, which are higher than that of MoS2 and black phosphorus.; National Natural Science Foundation of China [NSFC-11274023, 21573008]; National Grand Fundamental Research 973 Program of China [2012CB921404]; SCI(E); EI; PubMed; ARTICLE; sunqiang@pku.edu.cn; 14; 2664-2670; 7
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/491855]
专题	工学院
推荐引用方式 GB/T 7714	Zhang, Cunzhi,Sun, Qiang. A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier Mobility[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2016.
APA	Zhang, Cunzhi,&Sun, Qiang.(2016).A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier Mobility.JOURNAL OF PHYSICAL CHEMISTRY LETTERS.
MLA	Zhang, Cunzhi,et al."A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier Mobility".JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016).