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Ｘ射线被原子的芯能级吸收后，激发产生的光电子波在传播过程中被周围的原子散射，同源产生的带有周围原子结构信息的散射波（物波）与未被散射的光电子波（参考波），具有良好的相干性，这两列波的衍射图即是光电子全息图。通过重现全息图，可重构三维空间原子像，获得原子级分辨率的三维结构信息。采用合理的物理模型，对ｃ（２×２）Ｓ／Ｎｉ表面中Ｓ原子、金属Ｃｕ原子以及ＹＢＣＯ原胞中的Ｃｕ２原子近邻的一些原子簇，进行了光电子全息产生过程的计算机模拟。全息重现则采用数值重现的方法。
After the X-ray is absorbed by the core energy level of the atom, the excited photoelectron wave is scattered by the surrounding atoms in the process of propagation. The scattered and unscaled photoelectron waves generated by the homologous atom structure information with the surrounding atomic structure (Reference wave), has good coherence, the diffraction pattern of these two waves is the photoelectron hologram. By reproducing the hologram, the three-dimensional atomic image can be reconstructed to obtain the three-dimensional structure information of the atomic resolution. A reasonable physical model was used to simulate the photoelectron holography of some clusters near the Cu2 atom in the S (subscript 2) S / Ni surface and the Cu atom in YBCO. Holographic reproductions are numerically reproduced.