论文标题
耗散诱导的对称性破裂:含铅和锡的甲状腺元化和卤化物钙钛矿中的皇有源性转变
Dissipation-induced symmetry breaking: Emphanitic transitions in lead- and tin-containing chalcogenides and halide perovskites
论文作者
论文摘要
长期以来,众所周知,基于铅和锡的基于铅的硫化硫化硫化葡萄菌的半导体表现出异常低的导热率,使其非常有吸引力的热电材料。一个明显无关的事实是,这些材料中的激子带隙随温度增加而增加,而对于大多数半导体,人们都会观察到相反的趋势。这两个异常特征在截然不同的光伏材料中也可以看到,即Halide-Perovskites,例如CSPBBR3。以前曾提出过,元素是一种局部对称性的现象,是这些不寻常特征的一种常见起源。十年前发现的胸膜是观察到的铅位移或锡离子从其立方对称地面状态到高温下局部扭曲相的名称。这种现象一直令人困惑,因为高温状态的对称性低于堕落的基态是不寻常的。由氨分子的著名振动插入共振的动机,我们提出了一种基于量子隧道的肺炎模型,该模型的疏松率造成局部对称性破裂,并随着温度的升高而破裂。从隧道拆分的温度依赖性分析表达(作为订单参数),我们提供了三参数拟合公式,这些公式捕获了所有相关材料中观察到的离子位移的温度依赖性以及激发量带gap的异常增加。
Lead and tin-based chalcogenide semiconductors like PbTe or SnSe have long been known to exhibit an unusually low thermal conductivity that makes them very attractive thermoelectric materials. An apparently unrelated fact is that the excitonic bandgap in these materials increases with temperature, whereas for most semiconductors one observes the opposite trend. These two anomalous features are also seen in a very different class of photovoltaic materials, namely the halide-perovskites such as CsPbBr3. It has been previously proposed that emphanisis, a local symmetry-breaking phenomenon, is the one common origin of these unusual features. Discovered a decade ago, emphanisis is the name given to the observed displacement of the lead or the tin ions from their cubic symmetry ground state to a locally distorted phase at high temperature. This phenomenon has been puzzling because it is unusual for the high-temperature state to be of a lower symmetry than the degenerate ground state. Motivated by the celebrated vibration-inversion resonance of the ammonia molecule, we propose a quantum tunneling-based model for emphanisis where decoherence is responsible for the local symmetry breaking with increasing temperature. From the analytic expression of the temperature dependence of the tunnel splitting (which serves as an order parameter), we provide three-parameter fitting formulae which capture the observed temperature dependence of the ionic displacements as well as the anomalous increase of the excitonic bandgap in all the relevant materials.