Effect Of Phases On The Energetics Of Pristine InP Nanowires: An Ab-initio Approach
Pankaj Srivastava1*, Avaneesh Kumar1, Neeraj K. Jaiswal2 , Varun Sharma1
1Nanomaterials Research Group, ABV-Indian Institute of Information Technology and Management (IIITM),Gwalior 474015, India
2Discipline of Physics, Indian Institute of Information Technology, Design and Manufacturing (IIITDM),Jabalpur 482005, India
Adv. Mater. Lett., 2016, 7 (10), pp 831-835
DOI: 10.5185/amlett.2016.6240
Publication Date (Web): Aug 01, 2016
Copyright © 2019 VBRI Press
E-mail:pankajs@iiitm.ac.in
We have investigated the electronic and structural properties of pristine Zinc-blende type InP nanowires (NWs) by using ab-initio approach. We have considered the effect of phases by taking NWs of 7 Å radii in three phases viz. (100), (110), (111). It is revealed that the electronic properties of NWs are highly affected by the wire phases. NW in (100) phase is found to be semiconducting with an indirect band gap of 0.71 eV whereas it becomes semi-metallic and metallic in other two phases. Thus, the nature of nanowires is observed as a function of NW phases. Further, energetic feasibility of InP NWs strongly dependent on their growth phase.
Semiconductor nanowire, ab-initio calculation, DFT, electronic properties, zinc-blende.
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