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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 SCstructure is attributed to the scalar relativistic effect or the spin-orbitcoupling (SOC). Here, we study another phase, two-dimensional (2D) polonium(poloniumene), by performing density-functional theory calculations. We showthat the 2D polonium has the square lattice structure as its ground state anddemonstrate that the SOC (beyond the scalar relativistic approximation)suppresses the Peierls instability and is necessary to obtain no imaginaryphonon frequencies over the Brillouin zone.

Two-dimensional square lattice polonium stabilized by the spin-orbit coupling