title: Growth morphologies and optical properties of LTA single crystal.
abstract: Atomic force microscopy (AFM) has been used to study the growth morphologies of l-threonine acetate (abbreviated as LTA) crystal. Spiral growth hillocks and typical step patterns are described and discussed. Nuclei with various shapes often distribute at the larger step terraces. Eventually, in order to investigate microscopic second order nonlinear optical properties of LTA crystals, the molecular dipole moment (μ), polarizability (α), and first hyperpolarizability (β) were computed using a series of basis sets including polarized and diffuse functions at the framework of Hartree-Fock and density functional theory methods. The study is helpful to the further development of l-threonine analogs with improved nonlinear optical properties.
authors: School of Physics and Technology, University of Jinan, Jinan 250022, Shandong Province, PR China. Electronic address: lxj@mail.sdu.edu.cn.
authors: Xiaojing
authors: X
authors: Liu
authors: Miaojuan
authors: M
authors: Ren
authors: Gang
authors: G
authors: Chen
authors: Peiji
authors: P
authors: Wang
mesh_terms: D019342:Acetic Acid / Q000737:chemistry*; D003460:Crystallization; D018625:Microscopy, Atomic Force; D008958:Models, Molecular; D013912:Threonine / Q000031:analogs & derivatives*
chemical_list: D013912:Threonine; D019342:Acetic Acid
keywords: Atomic force microscopy; Crystal structure; Growth morphology; l-threonine acetate