Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Santander, Spain.
Phys Rev Lett. 2011 Jun 17;106(24):246406. doi: 10.1103/PhysRevLett.106.246406.
Based on the earlier revealed hidden pseudo Jahn-Teller effect which essentially involves excited electronic states we show that, with extension to solids, polyatomic systems with half-filled degenerate shells, e(2) or t(3), form a novel (practically inexhaustible) class of molecular and solid state materials with correlated and switchable magnetic and dielectric bistabilities. The latter are confirmed by state-of-the-art ab initio calculations, including estimation of lifetimes, for several representatives of this class, which also reveal a giant magnetoelastic effect in LiCuO(2) and NaCuO(2) crystals.
基于先前揭示的隐藏的伪 Jahn-Teller 效应,其本质上涉及激发态电子,我们表明,对于具有半满简并壳的多原子系统,e(2) 或 t(3),形成了一类具有关联和可切换磁性和介电双稳性的新型(几乎用之不竭)分子和固态材料。后者通过最先进的从头计算得到证实,包括对该类别的几个代表的寿命估计,这也揭示了 LiCuO(2) 和 NaCuO(2) 晶体中的巨大磁弹效应。