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z0 0sin zkk? ? 2 00 22 mWk ?Where: Phase shift 當前模型的局限 ? 沒有考慮電子間的交換關聯(lián)作用。 更精確的方法: DFTLDA Ves(r) Remarks ? The jellium model description of a metal surface neglects the details of the electronion interaction and emphasizes the nature of the smooth surface barrier. ? The nearly free electron model emphasizes the lattice aspects of the problem and simplifies the form of the surface barrier. 2. 近自由電子模型 ? The nearly free electron model, which is valid when the lattice potential is weak. Consequently, this potential is treated as a perturbation, the unperturbed states being free electron plane waves. This model can describe the electronic structure of normal metals and some narrowgap semiconductors. M. C. Desjonq249。 鏡像勢 Strongly correlated interaction En = eV/(n+a)2, n = 1,2,... 類似于氫原子的能級 金屬電子對表面外電荷的屏蔽效應 21() 14bv a cbeV z Ez?????Cu(100)和 Cu(111)表面的鏡像態(tài) Nonresonant Resonant 金屬 /絕緣體界面的鏡像態(tài) Progress in Surface Science 80 (2022) 49–91 兩個界面都有鏡像態(tài)! 2PPE 測得的 Cu(100)表面的鏡像態(tài) Progress in Surface Science 80 (2022) 49–91 STM z(V) spectroscopy n=1 n=2 n=3 n=4 n=5 n=6 利用 STM探測表面的鏡像態(tài) 3 4 5 6 7 8 9 120 115 110 105 100 95 Cu(100) rel. Tip height (A) sample bias (V) 休息 15分鐘 實例 1:貴金屬表面態(tài) Ag(111)表面在費米面附近存在能隙,而其他表面不存在能隙 Ag各個表面的能帶結構 各種貴金屬的( 111)面 Au(111) 表面態(tài)的測量 ARPES STM dI/dV spectroscopy Constant density of states (2D) 100 50 0 50 100012345 L0/(L0+ ?b) = L0?bE0= 67mVdI/dV (arb. u.)EEF (meV)自旋軌道耦合 表面駐波 Standing waves on Ag(111) surface / / / / //( ) ~ ~ c o si k x i k xk x e e k x? ??2 //( ) ~ ( ) ~ c o s 2kkx x k x?? 局域態(tài)密度: 表面態(tài)電子被臺階的散射 kx ky k1i k1s k2i k2s 0 臺階 等能面 E’ M. F. Crommie et al., Science 363, 524 (1993) 局域態(tài)密度: 表面態(tài)的能量色散 Y. Hasegawa and Ph. Avouris, Phys. Rev. Lett. 71, 1071 (1993) Quantum corrals Fe adatoms on Cu(111) 1993 IBM39。 gV g /0 ?? ?波函數(shù)在表面處的連續(xù)性 Vg0 Vg0 Shockley state E 1 2 3 The curvature of Ψk can match the decaying vacuum solution only for Vg0 近