论文标题
在光诱导的电荷密度波转换中立即阻尼相干振荡的起源
Origin of Immediate Damping of Coherent Oscillations in Photoinduced Charge Density Wave Transition
论文作者
论文摘要
与常规电荷密度波（CDW）材料形成鲜明对比的是，In/Si（111）表面上的一维CDW在光诱导的相变过的过程中表现出CDW振荡的立即阻尼。 Here, by successfully reproducing the experimentally observed photoinduced CDW transition on the In/Si(111) surface by performing real-time time-dependent density functional theory (rt-TDDFT) simulations, we demonstrate that photoexcitation promotes valence electrons from Si substrate to empty surface bands composed primarily of the covalent p-p bonding states of the long In-In bonds, generating interatomic forces to shorten the long粘结和反过来驱动结构过渡。我们说明，在结构过渡之后，这些表面带的成分发生在键中不同共价之间的切换，从而导致大约π/6旋转原子质力，从而迅速减弱特征CDW模式中的振荡。这些发现提供了对光诱导的相变的更深入的理解。
In stark contrast to the conventional charge density wave (CDW) materials, the one-dimensional CDW on the In/Si(111) surface exhibits immediate damping of the CDW oscillation during the photoinduced phase transition. Here, by successfully reproducing the experimentally observed photoinduced CDW transition on the In/Si(111) surface by performing real-time time-dependent density functional theory (rt-TDDFT) simulations, we demonstrate that photoexcitation promotes valence electrons from Si substrate to empty surface bands composed primarily of the covalent p-p bonding states of the long In-In bonds, generating interatomic forces to shorten the long bonds and in turn drives coherently the structural transition. We illustrate that after the structural transition, the component of these surface bands occurs a switch among different covalent In bonds, causing a rotation of the interatomic forces by about π/6 and thus quickly damping the oscillations in feature CDW modes. These findings provide a deeper understanding of photoinduced phase transitions.
