期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 120, 期 43, 页码 25037-25042出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.6b07048
关键词
-
资金
- National Natural Science Foundation of China [21673296, 61306149, 11334014]
Using density functional theory coupled to the Boltzmann transport equation with relaxation time approximation, we study the electronic structure and carrier mobility of graphene-like hexagonal boron phosphide (h-BP) monolayer and H-terminated armchair boron phosphide nanoribbons (ABPNRs). Our results show that the carrier mobility can reach over 10(4) cm(2) V-1 s(-1) for electron and 5 X 10(3) cm(2) V-1 s(-1) for hole in monolayer sheet. The carrier mobility in the ABPNRs is in the range of 10(3) to 10(4) cm(2) V-1 s(-1), and we find that the width of nanoribbon plays an important role in tuning the polarity of the carrier transport, which exhibits a distinct 3p (p is a positive integer) alternating behavior. The staggering oscillating behavior of mobility should be attributed to different, bond characteristics of the edge states in the ABPNRs. Moreover, the H-terminated zigzag boron phosphide nanoribbons (ZBPNRs) have the characteristics of p-type semiconductors in electrical conduction, and the carrier mobility is increased with the width of the nanoribbons and no alternating size-dependent carrier polarity is found. The high carrier mobility and adjustable polarity of transport suggest that h-BP is a promising candidate material for application in future nanoelectronic devices.
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