中文摘要：

结构的稳定性和 Ga 原子链的电子结构被第一原则的飞机波浪 pseudopotential 方法基于密度学习功能的理论。现在的计算证明那镓能形成平面链在线性 -- ，之字形形式和梯子形式一个维的结构。在学习结构之中的最稳定的相当近是有一个联合起来的房间的之字形链到与四位最近的邻居一起的等边三角形，并且所有另外的结构是亚稳的。相对结构的稳定性，精力乐队和费用密度基于 ab initio 计算和 Jahn 出纳效果被讨论。

英文摘要：

The structural stabilities and electronic structures of Ga atomic chains are studied by the first-principles plane wave pseudopotential method based on the density functional theory. The present calculations show that gallium can form planar chains in linear-, zigzag- and ladder-form one-dimensional structures. The most stable one among the studied structures is the zigzag chain with a unit cell rather close to equilateral triangles with four nearest neighbors, and all the other structures are metastable. The relative structural stability, the energy bands and the charge densities are discussed based on the ab initio calculations and the Jahn-Teller effect.