Replication data for : "Charge density wave collapse of NbSe2 in the (LaSe)1.14(NbSe2)2 misfit layer compound"

Data of the published paper "Charge density wave collapse of NbSe2 in the (LaSe)1.14(NbSe2)2 misfit layer compound" Ludovica Zullo, Grégory Setnikar, Amit Pawbake, Tristan Cren, Christophe Brun, Justine Cordiez, Shunsuke Sasaki, Laurent Cario, Giovanni Marini, Matteo Calandra, and Marie-Aude Méasson Phys. Rev. B 110, 075430 – Published 28 August 2024 DOI:https://doi.org/10.1103/PhysRevB.110.075430 "to read" file contains the explanation of the data: The Figure N folders with N=1,..,5 contain the Raman data and the results of the simulations as well as the inputs and outputs of the DFT simulations corresponding to the selected figure. The ‘Pseudos’ folder contain the pseudopotentials used for the DFT simulations. The ‘SM-Figure 1’ folder contains the simulation data for the Supplemental Materials graphs. All the energy are provided in cm-1. The Raman data were taken in the Neel Institute in Grenoble The results of the simulation were achieved at the INSP and at the University of Trento.

已发表论文《失配层化合物（misfit layer compound）(LaSe)1.14(NbSe2)2中NbSe2的电荷密度波（Charge density wave）坍缩》的数据，作者为Ludovica Zullo、Grégory Setnikar、Amit Pawbake、Tristan Cren、Christophe Brun、Justine Cordiez、Shunsuke Sasaki、Laurent Cario、Giovanni Marini、Matteo Calandra及Marie-Aude Méasson，发表于《物理评论B》（Phys. Rev. B）110卷075430页，2024年8月28日出版，DOI：https://doi.org/10.1103/PhysRevB.110.075430。"to read"文件包含数据说明：N取值1至5的Figure N文件夹包含拉曼数据（Raman data）、模拟结果以及对应所选图的密度泛函理论（DFT）模拟输入与输出；'Pseudos'文件夹包含密度泛函理论（DFT）模拟所用的赝势（pseudopotentials）；'SM-Figure1'文件夹包含补充材料图表的模拟数据；所有能量单位为cm⁻¹；拉曼数据于格勒诺布尔的Neel研究所采集；模拟结果由INSP与特伦托大学完成。