论文标题
多种散射理论方法,用于高能量核心水平光发射异核分子分子的时间延迟
A multiple scattering theoretical approach to time delay in high energy core-level photoemission of heteronuclear diatomic molecules
论文作者
论文摘要
我们介绍了通过线性极化的软X射线AttoSecond脉冲进行光电离时,在光次脉冲时,在光脉络电位上的分子框架中,动量分辨的核心水平光发射时间延迟的分析表达式。为此,我们开始根据固定空间系统(原子,分子和晶体)中的一个电子和单个通道模型中的一阶时间依赖性扰动理论来得出光发射时间延迟的一般表达,并将其应用于电偶极近似值内的核心光效率。 By using multiple scattering theory and applying series expansion, plane wave and muffin-tin approximations, the core-level photoemission time delay $t$ is divided into three components, $t_{\rm abs}$, $t_{\rm path}$ and $t_{\rm sc}$, which are atomic photoemission time delay, delays caused by the propagation of photoelectron among the周围的原子和光电子的散射分别是它们的。我们将单个散射近似值应用于$ t _ {\ rm path} $,并获得了$ t _ {\ rm path}^{(1)}(k,θ)$,具有与分子轴平行于分子轴的极化矢量,用于异源性双核分子,其中$θ$ the $θ$是$θ$的cORMECURECURECURECURECURECURECURECTROURCROUNT POCHERECTROURCROURCROUNT。 $ t $与此简化的表达$ t _ {\ rm PATH}^{(1)}(k,θ)$在高能制度($ k \ gtrsim 3.5 \,\,\,\,{\ rm a.u。 CO分子的光发时间延迟。 $t_{\rm path}^{(1)}(k,θ)$ shows characteristic dependence on $θ$, it becomes zero at $θ=0$, exhibits EXAFS type oscillation with $2kR$ at $θ=π$, where $R$ is the bondlength, and gives just the travelling time of photoelectron from the absorbing atom to the neighbouring atom at $θ=π/2 $。
We present analytical expressions of momentum-resolved core-level photoemission time delay in a molecular frame of a heteronuclear diatomic molecule upon photoionization by a linearly polarized soft x-rays attosecond pulse. For this purpose, we start to derive a general expression of photoemission time delay based on the first order time dependent perturbation theory within the one electron and single channel model in the fixed-in-space system (atoms, molecules and crystals) and apply it to the core-level photoemission within the electric dipole approximation. By using multiple scattering theory and applying series expansion, plane wave and muffin-tin approximations, the core-level photoemission time delay $t$ is divided into three components, $t_{\rm abs}$, $t_{\rm path}$ and $t_{\rm sc}$, which are atomic photoemission time delay, delays caused by the propagation of photoelectron among the surrounding atoms and the scattering of photoelectron by them, respectively. We applied single scattering approximation to $t_{\rm path}$ and obtained $t_{\rm path}^{(1)}(k,θ)$ with polarization vector parallel to the molecular axis for a heteronuclear diatomic molecule, where $θ$ is the angle of measured photoelectron from the molecular axis. $t$ is approximated well with this simplified expression $t_{\rm path}^{(1)}(k,θ)$ in the high energy regime ($k\gtrsim 3.5\,\, {\rm a.u.}^{-1}$), and the validity of this estimated result is confirmed by comparing it with multiple scattering calculations for C 1$s$ core-level photoemission time delay of CO molecules. $t_{\rm path}^{(1)}(k,θ)$ shows characteristic dependence on $θ$, it becomes zero at $θ=0$, exhibits EXAFS type oscillation with $2kR$ at $θ=π$, where $R$ is the bondlength, and gives just the travelling time of photoelectron from the absorbing atom to the neighbouring atom at $θ=π/2$.