Temperature-dependent layer breathing modes in two-dimensional materials

Indrajit Maity; Prabal K. Maiti; Manish Jain

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Temperature-dependent layer breathing modes in two-dimensional materials

机译：二维材料中与温度有关的层呼吸模式

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Relative out-of-plane displacements of the constituent layers of two-dimensional materials give rise to unique low-frequency breathing modes. By computing the height-height correlation functions from molecular dynamics simulations, we show that the layer breathing modes (LBMs) can be mapped consistently to vibrations of a simple linear chain model. Our calculated thickness dependence of LBM frequencies for few-layer (FL) graphene and molybdenum disulfide (MoS_2) are in excellent agreement with available experiments. Our results show a redshift of LBM frequency with an increase in temperature, which is a direct consequence of anharmonicities present in the interlayer interaction. We also predict the thickness and temperature dependence of LBM frequencies for FL hexagonal boron nitride. Our Rapid Communication provides a simple and efficient way to probe the interlayer interaction for layered materials and their heterostructures with the inclusion of anharmonic effects.

机译：二维材料组成层的相对平面外位移产生了独特的低频呼吸模式。通过从分子动力学模拟计算高度-高度相关函数，我们表明层呼吸模式（LBM）可以一致地映射到简单线性链模型的振动。我们针对几层（FL）石墨烯和二硫化钼（MoS_2）计算出的LBM频率的厚度依赖性与现有实验非常吻合。我们的结果表明，随着温度的升高，LBM频率会发生红移，这是层间相互作用中存在非谐性的直接结果。我们还预测了FL六角氮化硼LBM频率的厚度和温度依赖性。我们的快速交流提供了一种简单而有效的方法来探究层状材料及其异质结构的层间相互作用，并包含非谐效应。

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《Physical review》 |2018年第16期|161406.1-161406.5|共5页
作者
Indrajit Maity; Prabal K. Maiti; Manish Jain;
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Department of Physics, Indian Institute of Science, Bangalore-560012, India;

Department of Physics, Indian Institute of Science, Bangalore-560012, India;

Department of Physics, Indian Institute of Science, Bangalore-560012, India;

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1. Temperature-dependent layer breathing modes in two-dimensional materials [J] . Maity Indrajit, Maiti Prabal K., Jain Manish Physical review, B . 2018,第16期

机译：二维材料温度依赖层呼吸模式
2. Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials [J] . Liang Liangbo, Zhang Jun, Sumpter Bobby G., ACS nano . 2017,第12期

机译：拉曼散射二维材料中的低频剪切和层呼吸模式
3. Low-frequency interlayer vibration modes in two-dimensional layered materials [J] . Ji Jianting, Dong Shan, Zhang Anmin, Physica, E. Low-dimensional systems & nanostructures . 2016,第Null期

机译：二维层状材料中的低频层间振动模式
4. Implicit material modeling for temperature-dependent viscoplasticity using multi-layer neural networks [C] . T. Furukawa, S. Yoshimura, M. Hoffman Massachusetts Institute of Technology(MIT) Conference on Computational Fluid and Solid Mechanics 2003 v.1; 20030617-20030620; Cambridge,MA; US . 2003

机译：多层神经网络隐式材料建模的温度依赖性粘塑性
5. Applications of Two-Dimensional Layered Materials in Eradication of Multi-Drug Resistant Organisms and Natural Enzyme Mimicking Catalysis [D] . Saha, Sanchari. 2021

机译：二维分层材料在消除多药物抗药性和天然酶模拟催化中的应用
6. Ultrahigh thermal isolation across heterogeneously layered two-dimensional materials [O] . Sam Vaziri, Eilam Yalon, Miguel Muñoz Rojo, 2019

机译：跨异质分层二维材料的超高热隔离
7. Temperature Dependent Layer Breathing Modes in Two Dimensional Materials [O] . Maity, Indrajit, Maiti, Prabal K, Jain, Manish 2018

机译：二维材料中的温度依赖层呼吸模式

Temperature-dependent layer breathing modes in two-dimensional materials

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