Physique Theorique des Matériaux, Université de Liège (B5), B-4000 Liège, Belgium.
Phys Rev Lett. 2009 Dec 11;103(24):247601. doi: 10.1103/PhysRevLett.103.247601. Epub 2009 Dec 7.
Using first-principles calculations based on density functional theory, we study the properties of germanium telluride crystalline nanoplatelets and nanoparticles. Above a diameter of 2.7 nm, we predict the appearance of polarization vortices giving rise to an unusual ferrotoroidic ground state with a spontaneous and reversible toroidal moment of polarization. We highlight the crucial role of inhomogeneous strain in stabilizing polarization vortices. Combined with the phase-change properties of germanium telluride, the ferrotoroidic properties could be of practical interest for ternary logic applications.
我们使用基于密度泛函理论的第一性原理计算方法,研究了碲化锗晶状纳米盘和纳米颗粒的性质。在直径大于 2.7nm 时,我们预测了极化涡旋的出现,导致了一种具有自发和可逆的环形极化矩的异常铁环形基态。我们强调了不均匀应变在稳定极化涡旋中的关键作用。结合碲化锗的相变性质,铁环形性质可能对三元逻辑应用具有实际意义。