论文标题
通过交换相互作用调制的能量不变载波波数的低能电子衍射仪
Low-Energy Electron Diffraction With Energy Invariant Carrier Wave Wavenumber Modulated by Exchange-Correlation Interaction
论文作者
论文摘要
我们将低能电子衍射（LEED）表示为在目标晶体波导中运行的弹性电子原子散射（EEAS），在该目标晶体波导中，库仑载体波是通过交换相互作用（XC）相互作用调节的波数。使用KKR（Korringa-kohn-rostoker）松饼键型模型设计的载体电势是建立在重叠的自由原子上的。 XC电位是使用Sernelius关于电子自能的多粒子理论构建的。 EEAS相位偏移源自Dirac的微分方程，重新计算了四项LEED研究：Cu（111）+$（3 \！\！\！\！\ surd3 \ times \！\！\！\！\ surd3）\ Mathrm {r30^\ circ} 7 \！\ times \！\ surd3）\ mathrm {rect} $ - $ \ mathrm {so} _4 $，ru（0001）+$（\ surd3 \！\！\！\！\！\！\！\！\！\！\！\！\！\！\！ TMB代表1,3,5-Tris（4-Mercaptophenyl） - 苯苯，具有化学公式C $ _ {24} $ H $ _ {15} $ S $ _3 $。我们能够报告可靠的可靠性因素。
We present low-energy electron diffraction (LEED) as elastic electron-atom scattering (EEAS) operating in a target crystal waveguide where a Coulombic carrier wave is wavenumber modulated by exchange-correlation (XC) interaction. Carrier potential is designed using a KKR (Korringa-Kohn-Rostoker) muffin-tin model built on overlapping free atoms. XC potential is constructed using Sernelius's many-particle theory on electron self-energy. EEAS phase shifts are derived from Dirac's differential equations, and four recent LEED investigations are recalculated: Cu(111)+$( 3\!\surd3\times\!\surd3 ) \mathrm{R30^\circ}$-TMB, Ag(111)+$(4\!\times \!4 )$-O, Ag(111)+$( 7\!\times\!\surd3 ) \mathrm{rect}$-$\mathrm{SO}_4$, Ru(0001)+$( \surd3\!\times\!\surd3 ) \mathrm{R30^\circ}$-C. TMB stands for 1,3,5-tris(4-mercaptophenyl)-benzene with chemical formula C$_{24}$H$_{15}$S$_3$. We are able to report substantially improved reliability factors.
