Surface-scattering study of the interaction potential of He atoms with the step edges of the Cu(211) and Cu(511) vicinal surfaces.
نویسندگان
چکیده
The diffraction intensities of He atoms scattered from vicinal Cu~211! and Cu~511! surfaces have been measured with a high angular resolution over a wide range of incident energies from 8 to 82 meV. Closecoupling scattering calculations with a corrugated Morse potential were performed to obtain the corrugation parameters for the first three complex Fourier coefficients. The energy-dependent corrugation profiles determined from the best fit indicate that the corrugation predicted by a simple hard-sphere model is considerably smeared out at the small electron densities far from the surface probed by the He atoms. A comparison with Eikonal calculations demonstrates that hard corrugated wall Eikonal models are not adequate for the structural analysis of stepped surfaces. @S0163-1829~96!00831-4#
منابع مشابه
All-electron first-principles investigations of the energetics of vicinal Cu surfaces
Using first-principles calculations we studied the energetics surface energy, step energy, stability with respect to faceting of the lowand high-Miller-index vicinal Cu surfaces, namely, the 111 , 100 , 110 , 311 , 331 , 210 , 211 , 511 , 221 , 711 , 320 , 553 , 410 , 911 , and 332 surfaces. Our calculations are based on density-functional theory employing the all-electron full-potential linear...
متن کاملInteraction of atomic hydrogen with monometallic Au(100), Cu(100), Pt(100) surfaces and surface of bimetallic Au@Cu(100), Au@Pt(100) overlayer systems: The role of magnetism
The spin-polarized calculations in generalized gradient approximation density–functional theory (GGA–DFT) have been used to show how the existence of second metals can modify the atomic hydrogen adsorption on Au (100), Cu (100), and Pt (100) surfaces. The computed adsorption energies for the atomic hydrogen adsorbed at the surface coverage of 0.125 ML (monolayer) for the monometallic Au (100), ...
متن کاملStructure and vibrations of the vicinal copper „211... surface
We report a first-principles theoretical study of the surface relaxation and lattice dynamics of the Cu~211! surface using the plane-wave pseuodopotential method. We find large atomic relaxations for the first several atomic layers near the step edges on this surface, and a substantial step-induced renormalization of the surface harmonic force constants. We use the results to study the harmonic...
متن کاملTitration of Chiral Kink Sites on Cu(6 4 3) Using Iodine Adsorption
Density functional theory (DFT) and temperature programmed desorption (TPD) experiments have been used to probe the site preferences of adsorbed iodine atoms on Cu surfaces. DFT calculations are presented for iodine adsorption on Cu(1 1 1), Cu(1 0 0), Cu(2 2 1), Cu(5 3 3), Cu(5 3 1), and Cu(6 4 3). Additional DFT calculations are presented for I adsorption on a stepped Cu surface that mimics a ...
متن کاملScattering of surface states at step edges in nanostripe arrays.
Surface states of noble metal surfaces split into Ag-like and Cu-like subbands in stepped Ag/Cu nanostripe arrays. The latter self-assemble by depositing Ag on vicinal Cu(111). Ag-like states scatter at nude step edges in Ag stripes, leading to umklapp bands, quantum size effects, and peak broadening. By contrast, Ag stripe boundaries become transparent to Cu-like states, which display band dis...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review. B, Condensed matter
دوره 54 8 شماره
صفحات -
تاریخ انتشار 1996