Charge-density-wave tuning in monolayer 1H-TaSe2by biaxial strain and charge doping
Charge-density-wave tuning in monolayer 1H-TaSe2by biaxial strain and charge doping
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DOI：
10.1209/0295-5075/127/37001
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发表时间：
2019-09
期刊：
影响因子：
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通讯作者：
J. Si;M. Wei;H. Y. Wu;R. Xiao;W. J. Lu
中科院分区：
文献类型：
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作者：
J. Si;M. Wei;H. Y. Wu;R. Xiao;W. J. Lu
利用第一性原理计算，我们研究了面内双轴应变和电荷掺杂对单层1H-TaSe 2的电荷密度波（CDW）阶数的影响。结果表明，压应变能提高1H-TaSe 2单层的CDW有序度，而拉应变则抑制CDW有序度.基于1H-TaSe 2和1 T-TiSe 2的晶格畸变和应变响应的不同，解释了1H-TaSe 2和1 T-TiSe 2中应变调谐CDW有序的相反结果。此外，我们发现电子掺杂可以增强CDW有序，而空穴掺杂抑制CDW有序。结果表明，应变和电荷掺杂可以有效地控制单层1H-TaSe 2的CDW有序度，使单层1H-TaSe 2成为二维CDW电子器件的候选材料。需要进一步的实验研究来证实目前的预测。
Using first-principles calculations, we investigate the effects of in-plane biaxial strain and charge doping on the charge-density-wave (CDW) order of monolayer 1H-TaSe2. Our results show that the compressive strain can enhance the CDW order, while the tensile strain suppresses the CDW order of monolayer 1H-TaSe2. The contrary results of strain-tuned CDW orders in 1H-TaSe2 and 1T-TiSe2 are explained based on the different lattice distortions and responses to strain. Furthermore, we find that the electron doping can enhance the CDW order, while the hole doping suppresses the CDW order. Our results show that the strain and charge doping can effectively control the CDW order of monolayer 1H-TaSe2, which makes monolayer 1H-TaSe2 a candidate material for a two-dimensional CDW electronic device. Further experimental investigations are needed to confirm the present predictions.