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Ferroelectric switching in bilayer 3R MoS2 via interlayer shear mode driven by nonlinear phononics.
Scientific Reports ( IF 3.8 ) Pub Date : 2019-10-17 , DOI: 10.1038/s41598-019-50293-y Jaehong Park 1, 2 , In Won Yeu 1, 2 , Gyuseung Han 1, 2 , Cheol Seong Hwang 2 , Jung-Hae Choi 1
Scientific Reports ( IF 3.8 ) Pub Date : 2019-10-17 , DOI: 10.1038/s41598-019-50293-y Jaehong Park 1, 2 , In Won Yeu 1, 2 , Gyuseung Han 1, 2 , Cheol Seong Hwang 2 , Jung-Hae Choi 1
Affiliation
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We theoretically investigate the mechanism of ferroelectric switching via interlayer shear in 3R MoS2 using first principles and lattice dynamics calculations. First principle calculations show the prominent anharmonic coupling of the infrared inactive interlayer shear and the infrared active phonons. The nonlinear coupling terms generates an effective anharmonic force which drives the interlayer shear mode and lowers the ferroelectric switching barrier depending on the amplitude and polarization of infrared mode. Lattice dynamics simulations show that the interlayer shear mode can be coherently excited to the switching threshold by a train of infrared pulses polarized along the zigzag axis of MoS2. The results of this study indicate the possibility of ultrafast ferroelectricity in stacked two-dimensional materials from the control of stacking sequence.
中文翻译：
双层3R MoS2中的铁电开关通过非线性声子学驱动的层间剪切模式进行切换。
我们使用第一原理和晶格动力学计算，从理论上研究了3R MoS2中通过层间剪切进行铁电转换的机制。第一原理计算表明红外非活性层间剪切与红外活性声子之间的显着非调和耦合。非线性耦合项会产生有效的非谐波力，该非谐波力会驱动层间剪切模式并根据红外模式的振幅和偏振降低铁电开关势垒。晶格动力学仿真表明，可以通过沿MoS2的Z字形轴极化的一系列红外脉冲将层间剪切模式相干地激发到切换阈值。
更新日期：2019-10-17
中文翻译：
双层3R MoS2中的铁电开关通过非线性声子学驱动的层间剪切模式进行切换。
我们使用第一原理和晶格动力学计算，从理论上研究了3R MoS2中通过层间剪切进行铁电转换的机制。第一原理计算表明红外非活性层间剪切与红外活性声子之间的显着非调和耦合。非线性耦合项会产生有效的非谐波力，该非谐波力会驱动层间剪切模式并根据红外模式的振幅和偏振降低铁电开关势垒。晶格动力学仿真表明，可以通过沿MoS2的Z字形轴极化的一系列红外脉冲将层间剪切模式相干地激发到切换阈值。
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