Mulakaluri, Narasimham, Pentcheva, Rossitza, Wieland, Maria, Moritz, Wolfgang, Scheffler, Matthias
The interaction of water with Fe$_3$O$_4$(001) is studied by density functional theory (DFT) calculations including an on-site Coulomb term. For isolated molecules dissociative adsorption is strongly...
Pentcheva, Rossitza, Narasimham, Mulakaluri, Moritz, Wolfgang, Pickett, Warren E., Kleinhenz, Hans-Georg, Scheffler, Matthias
The valence discontinuity at transitionmetal oxide surfaces and interfaces can lead to properties and functionality that are not observed in the respective bulk phases. In this contribution we give...
X-ray structure analysis of the InSb ( )-(3 × 3) reconstruction (1994)
Wever, J., Meyerheim, Holger L., Moritz, Wolfgang, Jahns, V., Wolf, D., Schulz, H.
The (3 × 3) reconstruction of the InSb( ) surface has been analysed using grazing incidence X-ray diffraction. The reconstruction is characterized by hexamers above a complete InSb double-layer...
Meyerheim, Holger L., Wever, J., Jahns, V., Moritz, Wolfgang, Eng, P. J., Robinson, Ian K.
The intensity analysis along the crystal truncation rods has been used to analyse in situ the adsorption behaviour and the structure of K and Cs on Cu(0 0 1) at submonolayer coverages and room...
Meyerheim, Holger L., Wever, J., Jahns, V., Moritz, Wolfgang, Eng, P. J., Robinson, Ian K.
Surface X-ray diffraction has been used to analyze in situ the room-temperature adsorption behaviour and the structure of K and Cs on Cu(100) at submonolayer coverages. Adsorption of K takes place in...
Wever, J., Meyerheim, Holger L., Moritz, Wolfgang, Jahns, V., Wolf, D., Schulz, H., ...
The (3×3) reconstruction of the InSb( ) surface has been investigated by grazing incidence X-ray diffraction and scanning tunneling microscopy. The structure is characterized by 6-atom rings on top...
Anisotropic atomic motions in structural analysis by low energy electron diffraction (1993)
Over, Herbert, Moritz, Wolfgang, Ertl, Gerhard
The structure of the √3 × √3 R30° overlayer formed by CO molecules adsorbed on a Ru(0001) was analyzed by low energy electron diffraction. Anisotropic atomic motions under the influence of...
Automated determination of complex surface structures by LEED (1993)
Van Hove, Michel A., Moritz, Wolfgang, Over, Herbert, Rous, Philip J., Wander, Adrian, Barbieri, Angelo, ...
Conventional surface crystallography by low-energy electron diffraction (LEED) employs a trial-and-error search controlled at each step by human effort. This trial-and-error approach becomes very...
Stampfl, Catherine, Burchhardt, J., Nielsen, Morten, Adams, David L., Scheffler, Matthias, Over, Herbert, ...
It is found that the adsorption of potassium on Al(111) at 90 K and at 300 K both result in a (√3 × √3)R0° structure. Through a detailed LEED analysis it is revealed that at 300 K the adatoms...
Resolution correction for surface X-ray diffraction at high beam exit angles (1993)
Schamper, Christian, Meyerheim, Holger L., Moritz, Wolfgang
Owing to the two-dimensional periodicity of a superstructure on the crystal surface, the intensity in reciprocal space is continuously distributed along rods normal to the sample surface. The...
Optimization methods and their use in low-energy electron-diffraction calculations (1992)
Over, Herbert, Ketterl, U., Moritz, Wolfgang, Ertl, Gerhard
The speed of automatic optimization procedures used in surface structure determination by low-energy electron diffraction can be greatly enhanced by the use of linear approximations in the...
Top-layer superstructures of the reconstructed Pt(100) surface (1992)
Kuhnke, Klaus, Kern, Klaus, Comsa, Georg, Moritz, Wolfgang
The structures of the two reconstructed phases of the Pt(100) surface have been studied by high-resolution helium diffraction. In contrast to earlier investigations, we show that for both phases the...
Adsorption induced reconstruction of the Cu(110) surface (1992)
Moritz, Wolfgang, Zuschke, R., Pflanz, S., Wever, J., Wolf, D.
The formation of the O/Cu(110)-(2 × 1) and H/Cu(110)-(1 × 2) superstructures has been investigated by a LEED beam profile analysis. The oxygen induced reconstruction proceeds at later stages by...
Gierer, Martin, Bludau, Horst, Hertel, Tobias, Over, Herbert, Moritz, Wolfgang, Ertl, Gerhard
The two ordered phases p(2 × 2) at a coverage θ = 0.25 and (√3 × √3)R30° at θ = 0.33 of potassium adsorbed on Ru(0001) were analyzed by use of low-energy electron-diffraction (LEED). In the...
Identification of stable and metastable adsorption sites of K adsorbed on Al(111) (1992)
Stampfl, Catherine, Scheffler, Matthias, Over, Herbert, Burchhardt, J., Nielsen, Morten, Adams, David L., ...
The adsorption of potassium on Al(111) at 90 K and at 300 K has been investigated by low-energy electron diffraction (LEED). Although a (√3 × √3 )R30° structure is formed at each temperature, a...
The domain matrix method: a new calculation scheme for diffraction profiles (1992)
A new calculation scheme for diffraction profiles is presented that combines the matrix method with domain approaches. Based on a generalized Markov chain, the method allows the exact solution of the...
Over, Herbert, Bludau, Horst, Skottke, Maria, Ertl, Gerhard, Moritz, Wolfgang, Campbell, Charles T.
The ordered overlayer structures formed by Cs adsorbed on a Ru(0001) surface were analyzed by use of low-energy electron diffraction (LEED). The phase diagram reflects the dominance of dipole-dipole...
Over, Herbert, Bludau, Horst, Skottke, Maria, Moritz, Wolfgang, Ertl, Gerhard
The structure of the (√3 × √3 )R30° overlayer formed by coadsorption of Cs and O atoms (θCs=θ0=0.33) on a Ru(0001) surface was determined by low-energy electron diffraction. Both adsorbates...
Rossmann, R., Meyerheim, Holger L., Jahns, V., Wever, J., Moritz, Wolfgang, Wolf, D., ...
Grazing incidence X-ray diffraction has been used to analyze in detail the atomic structure of the (2 × 1) reconstruction of the Ge(001) surface involving far reaching subsurface relaxations. Two...
Ag on Ge(111): 2D X-ray structure analysis of the (Wurzel)3 x (Wurzel)3 superstructure (1992)
Dornisch, D., Moritz, Wolfgang, Schulz, H., Feidenhans'l, Robert, Nielsen, Morten, Grey, F., ...
We have studied the Ag/Ge(111)(Wurzel)3 x (Wurzel)3 superstructure by grazing-incidence X-ray diffraction. In our structural analysis we find striking similarities to the geometry of Au on Si(111)....
Au adsorption on Si(111) studied by grazing incidence x-ray diffraction (1992)
Schamper, Christian, Dornisch, D., Moritz, Wolfgang, Schulz, H., Feidenhans'l, Robert, Nielsen, Morten, ...
Baudoing-Savois, Robert, Gauthier, Yves, Moritz, Wolfgang
The surface of an ordered Pt80Fe20(110) crystal exhibits (1×2) and (1×3) reconstructions depending on the annealing treatment after ion bombardment. The (1×3) structure occurs after annealing in...
Static lattice distortions and the structure of Au/Si(111)-(5×1): An x-ray-diffraction study (1991)
Schamper, Christian, Moritz, Wolfgang, Schulz, H., Feidenhans'l, Robert, Nielsen, Morten, Grey, F., ...
Grazing-incidence x-ray diffraction has been used to determine the atomic arrangement in the 5×1 structure of Au on Si(111). The main features of this structure are partially occupied rows of gold...
Au/Si(111): Analysis of the (√3 × √3 )R30° and 6×6 structures by in-plane x-ray diffraction (1991)
Dornisch, D., Moritz, Wolfgang, Schulz, H., Feidenhans'l, Robert, Nielsen, Morten, Grey, F., ...
In-plane, fractional-order diffraction-data sets from thin Au layers on Si(111) with (√3 × √3 )R30° and 6×6 structures were measured at the wiggler beamline W1 at the Hamburg synchrotron...
A LEED structural analysis of the Co(100) surface (1991)
Over, Herbert, Kleinle, Gerald, Ertl, Gerhard, Moritz, Wolfgang, Ernst, Karl-Heinz, Wohlgemuth, Heinz, ...
The structure of the clean Co(1010) surface has been analysed by LEED. Application of a recently developed computational scheme reveals the prevalence of the termination A in which the two topmost...
An efficient method for LEED crystallography (1990)
Kleinle, Gerald, Moritz, Wolfgang, Ertl, Gerhard
Determination of periodic surface structures from analysis of LEED intensity data is usually based on the evaluation of continuous I/V-spectra for a large number of model structures for which all the...
Kleinle, Gerald, Wintterlin, Joost, Ertl, Gerhard, Behm, Rolf Jürgen, Jona, Franco, Moritz, Wolfgang
LEED analysis of the reconstructed (2 × 1)O-Ni(110) system clearly favors the “missing row” structure over the “saw-tooth” and “buckled row” models. By using a novel computational...
A novel procedure for fast surface structural analysis based on LEED intensity data (1989)
Kleinle, Gerald, Moritz, Wolfgang, Adams, David L., Ertl, Gerhard
By evaluating LEED intensities from different diffraction beams taken only at discrete energy intervals (which may be as large as 15–20 eV) the same degree of reliability in surface structure...
Fery, P., Moritz, Wolfgang, Wolf, D.
The atomic geometry of the (1×2) and (1×3) structures of the Pt(100) surface has been determined from a low-energy electron-diffraction intensity analysis. Both structures are found to be of the...
Structure determination of an adsorbate-induced multilayer reconstruction: (1×2)-H/Ni(110) (1987)
Kleinle, Gerald, Penka, Volker, Behm, Rolf Jürgen, Ertl, Gerhard, Moritz, Wolfgang
The reconstructed (1×2) structure formed by saturation of a Ni(110) surface with adsorbed H atoms at T
A leed analysis of the (2×1)H-Ni(110) structure (1987)
Reimer, W., Penka, Volker, Skottke, Maria, Behm, Rolf Jürgen, Ertl, Gerhard, Moritz, Wolfgang
A monolayer of H atoms adsorbed on Ni(110) below 180 K forms a (2×1) structure. The unit cell exhibits a glide symmetry plane and contains two adsorbed atoms. Based on a quantitative comparison...
Atomic steps on Si(100) surfaces (1987)
Martin, J. A., Aumann, C. E., Savage, D. E., Tringides, Michael C., Lagally, Max G., Moritz, Wolfgang, ...
It is demonstrated that surface-sensitive electron diffraction measurements of steps on singular, but rough Si(100) surfaces are subject to a multiple-scattering effect that can be misinterpreted as...
LEED structure analysis of the clean and (2×1)H covered Pd(110) surface (1987)
Skottke, Maria, Behm, Rolf Jürgen, Ertl, Gerhard, Penka, Volker, Moritz, Wolfgang
From an analysis of the low-energy electron diffraction (LEED) intensities we have determined the oscillatory distortion of the topmost interlayer spacings of the clean and the (2×1)H covered...
Relaxation and reconstruction on Ni(110) and Pd(110) surfaces induced by absorbed hydrogen (1987)
Moritz, Wolfgang, Behm, Rolf Jürgen, Ertl, Gerhard, Kleinle, Gerald, Penka, Volker, Reimer, W., ...
Hösler, Wolfgang, Moritz, Wolfgang, Tamura, Eiiti, Feder, Roland
A dynamical LEED intensity analysis is reported for Cu(001)−c(2 × 2)-Pb. The adsorbate layer distance from the substrate is determined as 2.29 Å, and the topmost interlayer spacing for the...
LEED analysis of a dense lead monolayer on copper (100) (1986)
Hösler, Wolfgang, Moritz, Wolfgang
A LEED intensity analysis is reported for the c(5√2 × √2)R45° structure, which is formed by a dense lead monolayer on the (100) surface of copper. Evidence was found that the adsorbate atoms do...
Ordering kinetics for O on W(110) (1986)
Tringides, Michael C., Wu, Peter K., Moritz, Wolfgang, Lagally, Max G.
Moritz, Wolfgang, Lagally, Max G.
It is shown that a determination of critical exponents in surface phase transformations based on a kinematic analysis of LEED peak intensities is subject to errors caused by multiple scattering that...
Structure, Stability, and Origin of (2×n) Phases on Si(100) (1986)
Martin, J. A., Savage, D. E., Moritz, Wolfgang, Lagally, Max G.
Phases with (2×n) structure (6
Moritz, Wolfgang, Imbihl, Ronald, Behm, Rolf Jürgen, Ertl, Gerhard, Matsushima, Tatsuo
From an analysis of the low-energy electron diffraction (LEED) intensities we have determined the adsorption geometry of the two ordered H adlayers formed at T
Multilayer distortion in the reconstructed (110) surface of Au (1985)
A new LEED intensity analysis of the reconstructed Au(110)-(1×2) surface results in a modification of the missing row model with considerable distortions which are at least three layers deep. The...
Effective calculation of LEED intensities using symmetry-adapted functions (1984)
The calculation of LEED intensities in a spherical-wave representation can be substantially simplified by symmetry relations. The wave field around each atom is expanded in symmetry-adapted functions...
Structure determination of the clean Co(110) surface by LEED (1983)
Welz, M., Moritz, Wolfgang, Wolf, D.
The atomic structure of the (11 0) surface of cobalt has been determined by LEED using six intensity spectra at normal incidence. The surface exhibits the truncated bulk structure with a contraction...
A LEED determination of the structures of Ru(001) and of CO/Ru(001)−(√3 × √3)R30° (1983)
Michalk, G., Moritz, Wolfgang, Pfnür, Herbert, Menzel, Dietrich
The structures of Ru(001) and of the √3 × √3 R30° overlayer of CO on Ru(001) have been determined by LEED I–V measurements and comparison to calculations. Special attention was paid to...
LEED studies of lead on copper (100) (1982)
Hösler, Wolfgang, Moritz, Wolfgang
Lead layers on copper (100) at coverages from 0.5 to 0.6 were investigated by quantitative LEED and AES measurements and dynamical LEED calculations. Comparisons of intensity measurements with...
The structure of atomic nitrogen adsorbed on Fe(100) (1982)
Imbihl, Ronald, Behm, Rolf Jürgen, Ertl, Gerhard, Moritz, Wolfgang
Nitrogen atoms adsorbed on a Fe(100) surface cause the formation of an ordered c(2 × 2) overlayer with coverage 0.5. A structure analysis was performed by comparing experimental LEED I–V spectra...
Structure of the clean Ta(100) surface (1982)
Titov, Anatoli, Moritz, Wolfgang
The clean Ta(100) surface and some aspects of hydrogen adsorption have been studied by LEED and AES. The thorough examination of LEED patterns did not provide any evidence for an atomic...
Structure of the Ag(110) surface determined by using averaged leed intensities (1979)
The constant momentum transfer averaging method has been used to determine the surface structure of the Ag(110) surface. A contraction of 8% of the first layer spacing compared to the bulk value is...
Structure determination of the reconstructed Au(110) surface (1979)
The LEED pattern of the Au(110) surface shows a (1 × 2) and also a (1× 3) superstructure. The (1 × 2) superstructure has been determined by comparison of LEED intensities with model calculations....
Jagodzinski, H., Moritz, Wolfgang, Wolf, D.
It is shown that the diffraction of slow electrons from disordered crystal surfaces is correlated with the problem of thermodynamical statistics. The correlation functions are completely determined...
Moritz, Wolfgang, Jagodzinski, H., Wolf, D.
The diffraction of low energy electrons from disordered overlayers adsorbed on ordered substrates is treated theoretically by an extension of Beeby's multiple scattering method. A lattice gas model...
Wolf, D., Jagodzinski, H., Moritz, Wolfgang
The LEED pattern of clean (101) surfaces of Au show a characteristic (1 × 2) superstructure. The diffuseness of reflections in the reciprocal [010] direction is caused by one-dimensional disorder of...
Wolf, D., Jagodzinski, H., Moritz, Wolfgang
The principles of the statistical disorder theory are discussed briefly. The theory is applied to a model of the disordered (101)Au surface with the characteristic (1 × 2) supersstructure. A fit...
Relativistic effects on LEED intensities from Au(111) (1978)
Feder, Roland, Moritz, Wolfgang
Comparison of relativistically and nonrelativistically calculated intensity versus energy profiles in low energy electron diffraction (LEED) from the (111) surface of Au (Z = 79) reveals that...
Züchtung von orientierten lithiumflourid-einkristallen aus der dampfphase (1970)
A high vacuum oven was constructed to grow LiF single crystals from the vapor phase by the vertical pulling method. Using a special crucible top it is possible to grow oriented single crystals of 23...
Frankfurt, Med. F., Diss. v. 28. Febr. 1968.
Toxikologische Untersuchungen der Wirkung neuer Lacke und Lacklösungsmittel : . (1952)
Jena, Med. F., Diss. v. 28. März 1952 (Nicht f. d. Aust.).
Tian, Yinghua, Jochum, Wolfram, Georgiev, Panco, Moritz, Wolfgang, Graf, Rolf, Clavien, Pierre-Alain
Implantation of small liver grafts causes liver injury and defective regeneration leading to graft failure. We investigated whether Kupffer cell-dependent TNF-α signaling contributes to this poor...
Tian, Yinghua, Jochum, Wolfram, Georgiev, Panco, Moritz, Wolfgang, Graf, Rolf, Clavien, Pierre-Alain
Implantation of small liver grafts causes liver injury and defective regeneration leading to graft failure. We investigated whether Kupffer cell-dependent TNF-α signaling contributes to this poor...