Unconventional lattice dynamics in few-layer h-BN and indium iodide crystals

doi:10.1088/1674-1056/27/8/086301

Abstract

Unusual quadratic dispersion of flexural vibrational mode and red-shift of Raman shift of in-plane mode with increasing layer-number are quite common and interesting in low-dimensional materials, but their physical origins still remain open questions. Combining ab initio density functional theory calculations with the empirical force-constant model, we study the lattice dynamics of two typical two-dimensional (2D) systems, few-layer h-BN and indium iodide (InI). We found that the unusual quadratic dispersion of flexural mode frequency on wave vector may be comprehended based on the competition between atomic interactions of different neighbors. Long-range interaction plays an essential role in determining the dynamic stability of the 2D systems. The frequency red-shift of in-plane Raman-active mode from monolayer to bulk arises mainly from the reduced long-range interaction due to the increasing screening effect.

Keywords: flexural mode quadratic dispersion long-range interaction frequency redshift dielectric screening

Received: 04 May 2018
Revised: 17 May 2018
Accepted manuscript online:

PACS:	63.22.-m	(Phonons or vibrational states in low-dimensional structures and nanoscale materials)
	63.20.D-	(Phonon states and bands, normal modes, and phonon dispersion)
	63.22.Np	(Layered systems)

Fund:

Project supported by the Major Program of Aerospace Advanced Manufacturing Technology Research Foundation from NSFC and CASC, China (Grant No. U1537204), the National Key Research and Development Program of China (Grant No. 2017YFA0206301), and the National Natural Science Foundation of China (Grant No. 51702146).

Corresponding Authors: Teng Yang
E-mail: yangteng@imr.ac.cn,yanghaiteng@msn.com

Cite this article:

Gan Hu(胡干), Jian-Qi Huang(黄建啟), Ya-Ning Wang(王雅宁), Teng Yang(杨腾), Bao-Juan Dong(董宝娟), Ji-Zhang Wang(王吉章), Bo Zhao(赵波), Sajjad Ali(阿里·萨贾德), Zhi-Dong Zhang(张志东) Unconventional lattice dynamics in few-layer h-BN and indium iodide crystals 2018 Chin. Phys. B 27 086301

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Unconventional lattice dynamics in few-layer h-BN and indium iodide crystals

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