Scrutiny of the stability, properties, and applications of 2D metals belonging to s-, p-, and d-block series has acquired intense research interest in the past few years. The present report is solely focused to systematically explore the stability and properties of 2D hexagonal (HX) lanthanides employing density functional theory calculations. To probe the dynamical stability of these materials, the phonon dispersion calculation is performed. The mechanical stability is analyzed on the basis of the 2D bulk modulus and elastic constant values. Further, to unravel the electronic properties of the 2D metals, electronic band structure, electron localization function, and the work function values are estimated. Moreover, en route to explore their magnetic properties, spin polarized density of states calculation is carried out and the ground state magnetic behavior is studied by considering ferromagnetic and antiferromagnetic spin configurations. Result explicitly demonstrates that 11 lanthanide metals are dynamically stable as an atomically thin 2D HX films. All of them are conducting in nature exhibiting ferromagnetic behavior in their ground state. These results offer the fundamentals of stability and properties of 2D HX lanthanides which can lay the foundation for exploring their diverse future applications.

中文翻译：

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基于密度泛函理论的二维六方镧系金属计算

在过去几年中，对属于 s-、p- 和 d-区系列的二维金属的稳定性、性质和应用的审查引起了强烈的研究兴趣。本报告仅侧重于利用密度泛函理论计算系统地探索二维六方 (HX) 镧系元素的稳定性和性质。为了探测这些材料的动态稳定性，进行了声子色散计算。基于二维体积模量和弹性常数值分析机械稳定性。此外，为了揭示二维金属的电子特性，估计了电子能带结构、电子定位函数和功函数值。此外，在探索其磁性的途中，进行自旋极化态密度计算，并通过考虑铁磁和反铁磁自旋配置研究基态磁行为。结果明确表明，11 种镧系金属作为原子级薄的 2D HX 薄膜是动态稳定的。它们都在自然界中导电，在其基态中表现出铁磁行为。这些结果为二维 HX 镧系元素的稳定性和性质提供了基础，为探索其多样化的未来应用奠定了基础。