英语翻译The dielectric function was calculated in the momentum representation,which requires matrix elements of the momentum,q,connecting occupied and unoccupied eigenstates.To be specific,the imaginary part of the dielectric function,E2,was calc

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英语翻译The dielectric function was calculated in the momentum representation,which requires matrix elements of the momentum,q,connecting occupied and unoccupied eigenstates.To be specific,the imaginary part of the dielectric function,E2,was calc
英语翻译
The dielectric function was calculated in the momentum representation,which requires matrix elements of the momentum,q,connecting occupied and unoccupied eigenstates.To be specific,the imaginary part of the dielectric function,E2,was calculated from [20]
In Eq.(1),e is the electron charge,m is its mass,o is the crystal volume and f is the Fermi distribution.Moreover,|kn> is the crystal wave function corresponding to the nth eigenvalue with crystal momentum k and spin t.The summation over the Brillouin zone in Eq.(1) is calculated using the tetrahedron interpolation [21].The matrix elements,degenvalues and eigenvectors are calculated in the irreducible part of the Brillouin zone.The total dielectric function is obtained by averaging the calculated dielectric function as we will point out later.Finally,the real part of the dielectric function,E1,is obtained from E2 using the Kramers-Kronig transformation written below.
To our knowledge,there are no theoretical calculations exploring the influence of pressure on the optical properties for this compound.Hence our work is a first attempt in this direction.
Fig.7 shows the calculated complex dielectric function E=E1+iE2.Our dielectric function calculated with the LDA show that the threshold peak appears at 1.96eV,corresponding to the direct transition F1-F15.For this compound there are four main peaks.The peaks are positioned around 2.93,3.31,4.23 and 5.43.the first peak can be assigned to the transition energyL1-L3.the second peak is the X3-X5 one,while the third peak is related to the F15c-F15v transition at the F point.Finally the last peak is related to L3c-L3v and K1c-K1v.

英语翻译The dielectric function was calculated in the momentum representation,which requires matrix elements of the momentum,q,connecting occupied and unoccupied eigenstates.To be specific,the imaginary part of the dielectric function,E2,was calc
绝缘功能在动量表示需要矩阵元素的势头,问,连接占领和空态.具体地说,这个虚部的介电功能,E2计算[2000]从
在Eq.(1),是电子电荷,m是它的质量,是水晶的体积和f费米分布.另外,| kn >是水晶的波函数,讨论了相应的特征值与水晶动量钾和旋转.总结了布里渊区在Eq.(1)计算了四面体插值(21).这个矩阵元素,degenvalues和特征向量符号计算的布里渊区.总介电函数计算得到的介电功能均从之后.最后,真正的一部分介质功能、E1处理,得到了Kramers-Kronig变换写使用E2下面.
据我们所知,还没有理论计算的影响,探讨了压力对该化合物的光学性质.因此,我们的工作是第一次尝试朝这个方向.
图7显示计算复介电功能E = E1级+ iE2我们的介电功能计算LDA表明该阈值峰出现在1.96eV,对应于直接过渡F1-F15对于这种化合物有四种主要的山峰上.周围的山峰,3.31位置,4.23 2.93及声明.第一高峰可以被指定到过渡energyL1-L3.第二高峰是X3-X5之一,同时第三高峰是有关在华氏度(约为38.9 F15c-F15v过渡.最后最后的高峰,K1c-K1v L3c-L3v有关.

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电介质的功能是计算代表的势头，这需要的势头，q连接占领和无人居住的本征态，矩阵元素。具体而言，该介电函数虚部，E2类，是计算[20]
在均衡器。（1），e是电子电荷，m是它的质量，o是晶体体积和f是费米分布。此外，|千牛“是晶体波函数对应的势头，与晶体自旋吨k和n个特征值该方程在布里渊区的总和。（1）是利用四面体插值[21]。矩阵元素，degenvalues和特征向量计算的不可约布里渊区的一部分。总介电函数得到平均计算出的介电函数，我们在下文将指出。最后，介电函数的实部，素E1，E2类是从使用克拉默斯-克罗尼格书面下面的转变。据我们所知，没有探索对这种化合物的光学性质的理论计算压力的影响。因此，我们的工作是这个方向的尝试。图7显示了计算复杂介电函数E =素E1 + iE2.Our介电函数与法援署表明，高峰值出现在1.96eV，相应的直接过渡的F1 - F15.For这种化合物有四个主要峰计算。定位的山峰周围2.93，3.31，4.23和5.43。第一个高峰可分配给过渡energyL1 - 13。第二个高峰期的X3，X5的一个，而第三个高峰期是有关F15c，在F点F15v过渡。最后，最后一个高峰是有关L3c - L3v和K1c，K1v。
以上翻译是通过金山词霸翻译而成的。

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