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arXiv 1503.06891cond-mat.mes-hallcond-mat.mtrl-sci
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1 T- TaSe2薄膜中的公度-非公度电荷密度波跃迁和声子带折叠

The Commensurate-Incommensurate Charge-Density-Wave Transition and Phonon Zone Folding in 1T-TaSe2 Thin Films

R. Samnakay, D. Wickramaratne, T. R. Pope, R. K. Lake, T. T. Salguero, A. A. Balandin

摘要:

散装1 T-TaSe 2具有异常高的电荷密度波(CDW)的转变温度为600 K和473 K以下的材料存在于无公度(I-CDW)和相称(C-CDW)的电荷密度波阶段,分别。晶格的C-CDW重构与从原始布里渊区的中间区域回到伽马点的声子模式的区带折叠所产生的新的拉曼峰相吻合。C-CDW转变温度作为膜厚度的函数,从这些新的拉曼峰的演变确定,他们被发现从473 K下降到413 K的膜厚度从150 nm到35 nm的减少。拉曼数据与从头计算的正常和C-CDW阶段的比较给出了一致的图片的声子模式的区域折叠后晶格重构。在I-CDW相,平移对称性的损失与拉曼峰的强烈抑制和加宽相一致。所观察到的C-CDW转变温度的变化与体和单层1 T-TaSe 2的总能量计算是一致的。

英文摘要:

Bulk 1T-TaSe2 exhibits unusually high charge density wave (CDW) transition temperatures of 600 K and 473 K below which the material exists in the incommensurate (I-CDW) and the commensurate (C-CDW) charge-density-wave phases, respectively. The C-CDW reconstruction of the lattice coincides with new Raman peaks resulting from zone-folding of phonon modes from middle regions of the original Brillouin zone back to the Gamma point. The C-CDW transition temperatures as a function of film thickness are determined from the evolution of these new Raman peaks and they are found to decrease from 473K to 413K as the film thicknesses decrease from 150 nm to 35 nm. A comparison of the Raman data with ab initio calculations of both the normal and C-CDW phases gives a consistent picture of the zone-folding of the phonon modes following lattice reconstruction. In the I-CDW phase, the loss of translational symmetry coincides with a strong suppression and broadening of the Raman peaks. The observed change in the C-CDW transition temperature is consistent with total energy calculations of bulk and monolayer 1T-TaSe2.

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