【作者】 范艳伟；

【导师】 张军；

【作者基本信息】 新疆大学 ， 理论物理， 2005， 硕士

【摘要】 近年来，纳米材料和单分子操纵技术越来越受到人们的关注。通过原子、分子操纵，实现在纳米尺度上对材料进行加工，完成单原子、单分子电子器件的制作，一直是人们追求的目标。随着单分子操纵技术的不断发展，人们对单个分子进行操纵的梦想已经成为了现实。我们已经可以由不同于以往的从下到上的思想用一个个的原子逐步构建我们所需要的原子器件。这也使得通过改变材料的微观结构对材料的各种基本性质进行调控成为可能。对材料性质的认识和调控离不开对小尺度材料的晶格振动、声子结构和电子结构的研究。 本文主要对一维原子链的晶格振动以及加入杂质原子后晶格的振动情况与局域振动模的分布情况进行了细致的研究。 第一章介绍了目前单分子操纵技术的概况。分别从电场、原子力和光场方面介绍了目前实现原子、分子操纵的原理，重点介绍了扫描隧道显微镜(Scanning Tunneling Microscope，简称STM)、原子力显微镜(Atomic Force Microscope，简称AFM)和光镊子技术。 第二章介绍了在完整晶格情况下的晶格振动。对一维单原子链和一维复原子链的情况分别进行讨论，给出了明晰的晶格振动图像。并对晶格振动进行量子化，得到了声子的概念。 第三章对完整晶格进行掺杂处理，详细讨论了杂质原子对一维原子链的晶格振动的影响和杂质所引起的局域振动情况。 本人主要研究了在原子链中添加两不同杂质原子的情况。由于杂质的存在，晶格的对称性在很大程度上被破坏，所以格波中原本简并的很多能级都发生了分裂。随着两杂质原子间距离的变化，格波的振动频率也会在一定范围内震荡变化。当其中一个杂质的质量和位置固定，变化另一杂质的质量的时候，所得结果同添加一个杂质情况大致相同。更多还原

【Abstract】 Recently, people have been paid more attention to nanomaterials and single molecule manipulation technology. Realizing the processes of making material on nanometer yardstick, and the monoatomic, single molecule electronic device through the atom, molecule manipulation is the goal that people have pursued all the time. As the constant development of the single molecule manipulation technology, the dream of single molecule manipulation has came true. We can already structure the atom device that we needed with atom by the thought which is different from the past. In the same time this made the modulation of the fundamental properties of the material became possible through changing the microstructure of the material. The understanding of the material properties is rely on the study of the small yardstick material’s lattice vibration, phonon structure and electronic structure.In this thesis we have studied the lattice vibration of one dimensional atomic chain, researched the lattice vibration and the location of the localized modal while adding the impurity atom.In the first chapter introduced the overview of single molecule manipulation technology. The theory of the atom, molecule manipulation has been introduced by electric field, atomic force, and optical separately. Especially explained Scanning Tunneling Microscope, Atomic Force Microscope, and Optical Tweezers.In the second chapter we introduced the lattice vibration of the integrated lattice, discussed the one dimensional monoatomic chain and one dimensional diatomic chain, and drew out clear picture of the lattice更多还原