Complex lattice potentials in electron diffraction calculated for a number of crystals
Complex lattice potentials in electron diffraction calculated for a number of crystals
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计算多种晶体的电子衍射中的复杂晶格势
DOI：
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发表时间：
1970
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影响因子：
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通讯作者：
G. Radi
中科院分区：
文献类型：
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作者：
G. Radi
对于元素Z = 3至90的几乎所有单原子晶体和一些岩盐型晶体，以表格形式给出了100 keV电子的结构势Vg和吸收势。在20、93和293 °K下，以吉冈虚势的傅里叶系数C10 g的形式给出了晶体电子激发和声子激发的吸收势。所有计算都是基于赫尔曼和斯基尔曼的数值Hartree-Fock-斯莱特原子径向函数（原子结构计算。Englewood Cliffs：普伦蒂斯霍尔，1963年）。计算表明，对于较低的反射矢量g和几乎所有的Z，比值C10 g（el）/Vg（其中C10 g（el）指单晶电子的激发）在0.005和0.012之间。与此相反，对于给定的g，比率C10 g（声子）/Vg大得多，并且随着Z近似线性地增加。
Structure potentials, Vg, and absorption potentials for 100 keV-electrons are given in tabulated form for almost all monatomic crystals with elements Z = 3 to 90 and for a number of crystals of the rock-salt type. The absorption potentials are given in the form of the Fourier coefficients Ci0g of the Yoshioka imaginary potential for excitation of crystal electrons and excitation of phonons at the temperatures 20, 93 and 293 °K. All computations are based on numerical Hartree-Fock-Slater atomic radial functions by Herman & Skillman (Atomic Structure Calculations. Englewood Cliffs: Prentice Hall, 1963). The calculations show that the ratio Ci0g(el)/Vg, where Ci0g(el) refers to excitation of single-crystal electrons, lies between 0.005 and 0.012 for the lower reflexion vectors g and practically all Z. In contrast to this the ratio Ci0g(phonon)/Vg is much larger and increases about linearly with Z, for a given g.