论文标题
通过自旋轨道耦合稳定的二维平方晶格polonium
Two-dimensional square lattice polonium stabilized by the spin-orbit coupling
论文作者
论文摘要
polonium被称为唯一具有三个维度的简单立方（SC）晶格的简单金属。关于稳定的SC结构是归因于标量相对论效应还是自旋轨道耦合（SOC）存在争论。在这里，我们通过执行密度功能理论计算来研究另一个阶段，二维（2d）polonium（poloniumene）。我们表明，2D polonium具有平方晶格结构作为基态，并证明SOC（超出标量相对论近似之外）会抑制PEIERLS的不稳定性，并且对于在Brillouin区域上没有获得假想的声子频率是必不可少的。
Polonium is known as the only simple metal that has the simple cubic (SC) lattice in three dimension. There is a debate about whether the stabilized SC structure is attributed to the scalar relativistic effect or the spin-orbit coupling (SOC). Here, we study another phase, two-dimensional (2D) polonium (poloniumene), by performing density-functional theory calculations. We show that the 2D polonium has the square lattice structure as its ground state and demonstrate that the SOC (beyond the scalar relativistic approximation) suppresses the Peierls instability and is necessary to obtain no imaginary phonon frequencies over the Brillouin zone.
