Temperature-dependent dielectric functions of bcc transition metals Cr, Mo, and W from ultraviolet to infrared regions: A theoretical and experimental study
Temperature-dependent dielectric functions of bcc transition metals Cr, Mo, and W from ultraviolet to infrared regions: A theoretical and experimental study
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bcc 过渡金属 Cr、Mo 和 W 从紫外到红外区域的温度依赖性介电函数：理论和实验研究
DOI：
10.1063/1.5023606
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发表时间：
2018-04
影响因子：
3.2
通讯作者：
Liu LH
中科院分区：
文献类型：
--
作者：
Xu Meng;Liu Linhua;Yang Jia-Yue;Liu Linhua;Liu LH;Liu LH
在体心立方过渡金属Cr、Mo和W中，d带的部分填充使得带间跃迁发生在较低的光子频率，因此很难与带内跃迁区分开来。在这里，我们通过电子-声子和电子-电子相互作用的计算以及椭偏实验，对这些体心立方过渡金属的带内和带间贡献对有限温度介电函数的分解进行了深入研究。在这项工作中，应用Drude模型和带间跃迁理论分别定量描述了带内跃迁和带间跃迁。为了准确地确定带内跃迁，从第一性原理出发计算了Drude模型的相关参数，如等离子体频率和电子弛豫时间。计算了多体理论中的电子-电子相互作用和密度泛函微扰理论中的电子-声子相互作用，得到了有限温度下的电子弛豫时间和带内介电函数。对于带间跃迁，考虑了自旋-轨道耦合，它对Mo和W的带间介电函数有很大的影响，特别是在低频段。为了验证理论计算，进行了椭偏测量实验，测量了铬、钼和钨在300-700 K温度范围和0.08-4.8 eV能量范围内的介电函数。用Drude模型对实验结果进行了拟合，结果表明，电子-声子相互作用而不是电子-电子相互作用主导了过渡金属铬、钼和钨的驰豫时间随频率的变化。在体心立方过渡金属铬、钼和钨中，部分填充d带的存在使带间跃迁发生在较低的光子频率，因此很难将其与带内跃迁区分开来。在这里，我们通过电子-声子和电子-电子相互作用的计算以及椭偏实验，对这些体心立方过渡金属的带内和带间贡献对有限温度介电函数的分解进行了深入研究。在这项工作中，应用Drude模型和带间跃迁理论分别定量描述了带内跃迁和带间跃迁。为了准确地确定带内跃迁，从第一性原理出发计算了Drude模型的相关参数，如等离子体频率和电子弛豫时间。计算了多体理论中的电子-电子相互作用和密度泛函微扰理论中的电子-声子相互作用，得到了电子与声子的相互作用.
In the bcc transition metals Cr, Mo, and W, the existence of the partially filled d bands makes interband transition occur at low photon frequencies and thus, it is difficult to differentiate it from intraband transition. Here, we present a thorough study on decomposing the intraband and interband contribution to finite temperature dielectric functions of these bcc transition metals by performing electron-phonon and electron-electron interaction calculations, as well as ellipsometry experiments. In this work, the Drude model and interband transition theory are applied to quantitatively describe the intraband and interband transition, respectively. To accurately determine intraband transition, the relevant parameters for the Drude model, such as plasma frequency and electron relaxation time, are calculated from first-principles. The electron-electron interaction within the many-body theory and electron-phonon interaction within the density functional perturbation theory are calculated to obtain the electron relaxation time and intraband dielectric function at finite temperature. As for interband transition, the spin-orbit coupling is included and it shows nontrivial influence on the interband dielectric function of Mo and W, especially at low frequencies. To verify theoretical calculations, ellipsometry experiments are performed to measure dielectric functions of Cr, Mo, and W over the temperature range of 300–700 K and energy range of 0.08–4.8 eV. The experimental results are then fitted by the Drude model, and it shows that the electron-phonon interaction rather than electron-electron interaction dominates the frequency dependence of the relaxation time for transition metals Cr, Mo, and W.In the bcc transition metals Cr, Mo, and W, the existence of the partially filled d bands makes interband transition occur at low photon frequencies and thus, it is difficult to differentiate it from intraband transition. Here, we present a thorough study on decomposing the intraband and interband contribution to finite temperature dielectric functions of these bcc transition metals by performing electron-phonon and electron-electron interaction calculations, as well as ellipsometry experiments. In this work, the Drude model and interband transition theory are applied to quantitatively describe the intraband and interband transition, respectively. To accurately determine intraband transition, the relevant parameters for the Drude model, such as plasma frequency and electron relaxation time, are calculated from first-principles. The electron-electron interaction within the many-body theory and electron-phonon interaction within the density functional perturbation theory are calculated to obtain the electro...
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DOI：
10.1103/physrevb.36.929
发表时间：
1987-05
期刊：
Physical review. B, Condensed matter
影响因子：
--
作者：
Kulikov;Alouani;Khan;Magnitskaya
通讯作者：
Kulikov;Alouani;Khan;Magnitskaya
影响因子：
3.7
作者：
Rangel, T.;Kecik, D.;Olevano, V.
通讯作者：
Olevano, V.
原子薄石墨烯、硅烯和砷烯中与温度相关的介电函数
影响因子：
4
作者：
杨家跃;刘林华
通讯作者：
刘林华
DOI：
10.1016/j.ijthermalsci.2015.12.020
发表时间：
2013-03
期刊：
arXiv: Optics
影响因子：
--
作者：
A. F. Borghesani;G. Carugno
通讯作者：
A. F. Borghesani;G. Carugno
基于二维光栅/薄膜纳米结构的热光伏发射器
DOI：
10.1016/j.ijheatmasstransfer.2013.08.047
发表时间：
2013-12
影响因子：
5.2
作者：
Bo Zhao;Liping Wang;Yong Shuai
通讯作者：
Yong Shuai