Data-Efficient Iterative Training of Gaussian Approximation Potentials:Application to Surface Structure Determination of Rutile IrO2 and RuO2

Author(s):  
Jakob Christian Timmermann ◽  
Yonghyuk Lee ◽  
Carsten G. Staacke ◽  
Johannes Theo Margraf ◽  
Christoph Scheurer ◽  
...  
1990 ◽  
Vol 202 ◽  
Author(s):  
J. Vrijmoeth ◽  
P.M. Zagwijn ◽  
J.W.M. Frenken ◽  
J.F. van der Veen

ABSTRACTThe surface structure of epitaxial NiSi2 films grown on Si (111) has been determined using a new method. The backscattering signals from subsequent Ni layers in the NiSi2 (111) surface are resolved.The topology of the NiSi2 (111) surface is concluded to be bulklike, i.e., it is terminated by a Si – Ni – Si triple layer.


Author(s):  
Y. Ma ◽  
S. Lordi ◽  
J. A. Eades

The GaAs(001) surface is the most widely used gallium arsenide face in the MBE growth of multilayer electronic device structures. Various reconstructions on this face have been reported. They range from the As-rich (2×4) to the Ga-rich (4×2). The As-rich (2×4) surface is the most important one of these, since MBE growth usually starts and ends with this surface. A multislice formalism of Cowley & Moodie with a recently developed edge patching method has been applied to quantitative analyses of the RHEED patterns from MBE grown GaAs(001)-2×4 surfaces. The analyses are based on the ordering of visually estimated spot intensities of the observed RHEED patterns from the GaAs(001)-2×4 surfaces, which is similar to the approach used in early X-ray structure determinations. The surface structure has been proved to be a dimerized vacant 2×4 reconstruction with one dimer of every four missing, which is consistent with previous STM observations.


1990 ◽  
Vol 208 ◽  
Author(s):  
J. Vrijmoeth ◽  
P. M. Zagwijn ◽  
J. W. M. Frenken ◽  
J. F. Van Der Veen

ABSTRACTThe surface structure of epitaxial Nisi2 films grown on Si(111) has been determined using a new method. The backscattering signals from subsequent Ni layers in the Nisi2 (111) surface are resolved.The topology of the Nisi2(111) surface is concluded to be bulklike, i.e., it is terminated by a Si – Ni – Si triple layer.


1985 ◽  
Vol 18 (4) ◽  
pp. 933-945 ◽  
Author(s):  
K Heinz ◽  
N Bickel ◽  
G Besold ◽  
K Muller

1991 ◽  
Vol 254 (1-3) ◽  
pp. 45-57 ◽  
Author(s):  
S.H. Overbury ◽  
D.R. Mullins ◽  
M.T. Paffett ◽  
B.E. Koel

1995 ◽  
Vol 51 (24) ◽  
pp. 17946-17951 ◽  
Author(s):  
S. S. Dhesi ◽  
R. G. White ◽  
A. J. Patchett ◽  
M. P. Evans ◽  
M. H. Lee ◽  
...  

2016 ◽  
Vol 93 (3) ◽  
Author(s):  
Luis Henrique de Lima ◽  
Lucas Barreto ◽  
Richard Landers ◽  
Abner de Siervo

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