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Electronic states of Si(001) stepped surfaces - ScienceDirect
Electronic states of steps on the Si(001) surface are calculated by the DV-Xα method. The dangling-bond levels appear in the middle of the band gap.
[ 1-s2.0-003960289190272T-main.pdf?_tid=5075e5dc-9a39-11e3-b58e-00000aab0f01&acdnat=1392905850_a3389a1f96c76be3b021e25466e9f74f - Read/Download File

Electronic States of Si(001) Stepped Surface - JPS Journals
tr。nic states 。f this dimer-chain Sa step' We sh。w that the charge density 。f the dimerー. Chain sa step Weーー repr。duces the ーarge buckー- ing 。f the STM ...
[ JPSJ.60.1028 - Read/Download File

Electronic States of Si(001) Stepped Surface under Electric Field
Step. istence 。f the sa. By c。mparig。n 。f vaーues in the sec。nd and third C。ー umns 。f Tabーe n, We see that, d。wn directi。n, it iS appーied in pa吏拠ーeー.
[ JPSJ.61.3658 - Read/Download File

Structure of monatomic steps on the Si (001) surface
The atomic and electronic structure of the stepped Si(OOI) surface is investigated by ab initio molecu- ... ground state configuration of the Si(001) surface, i.e., the.
[ PhysRevLett.72.3694 - Read/Download File

Density-functional study of hydrogen chemisorption on vicinal Si
Jul 24, 1998 ... and at the steps of a vicinal Si(001) surface the equi- librium hydrogen .... mizations have been carried out using the electronic- structure code fhi96md ..... energies of the final state configurations after hydrogen adsorption on ...
[ 9807329 - Read/Download File

Step-step interaction on vicinal Si(001) surfaces studied by scanning
Aug 21, 2009 ... I. INTRODUCTION. Surface steps are key microstructural features of great in- ... ter category, Si001 and Si111 vicinal surfaces have been used extensively .... and compares well with reflection electron microscopy data at T=1173 K .... compared with the values of A calculated from the ground-state energy in ...
[ PhysRevB.80.075315.pdf - Read/Download File

Reprint (PDF) - Uni Marburg
The surface kinetics of hydrogen adsorbed on vicinal Si001 surfaces, misoriented towards the 110 direction, is .... the adsorbate on the surface electronic states.
[ raschke99prb.pdf - Read/Download File

Highly site-specific H2 adsorption on vicinal Si (001) surfaces
Nov 17, 1998 ... ometric and electronic structure of the stepped surface gives rise to ... to the transition state found for the ideal Si(001) sur- face [18]. For the ...
[ Arxiv_cond-mat_9811241_1998.pdf - Read/Download File

Mar 12, 2001 ... The exposure of the miscut Si001 surface to H gives rise to a rich sequence ... formation of steps on the (21) reconstructed surface requires energy, but that on the (11) surface, steps ... drogen chemisorption changes the surface electronic struc- ..... ture is noticeably relaxed in the nonrebonded configuration,.
[ 400.pdf - Read/Download File

The Structure of Silicon Surfaces from (001) to (111)
rebonded steps, and tetramers) to (111)–like structures (π-bonded chains, adatoms, ... follows: 1) Si(001) to Si(114): (001)-like surfaces composed of dimers .... Atomic-resolution STM images of both the empty and filled electronic states were ...
[ a483141.pdf - Read/Download File

Antiferromagnetic ordering of dangling-bond electrons at the
Mar 5, 2013 ... rebonded DB step of the Si(001) surface. The rebonded ... Creation of a magnetically ordered state in carbon materials has attracted much attention be- .... This manifests that the electronic energy gain by AFM spin ordering.
[ 1303.1175v1.pdf - Read/Download File

Arsenicterminated silicon and germanium surfaces studied by
Jul 5, 1988 ... Further studies on vicinal, double-stepped substrates ... heavily reconstruct, trading lattice strain for a reduction in electronic free energy, principally ... suggest that As grows expitaxially on the Si(001) surface (Uhrberg et ul., 1986 ... The remaining two electrons form a lone pair state in a similar fashion to the.
[ pdf - Read/Download File

Adsorption at nanostructured surfaces from first - Universität Ulm
The systems addressed in this review include stepped surfaces, supported clusters, surface alloys, nanostructures ... ment of efficient electronic structure algorithms, a very fruitful and .... on the Hohenberg-Kohn theorem11,12 which states that there is a ...... At the flat. Si(001) surface, the π interaction between the dangling.
[ JCTN_Ads_2007.pdf - Read/Download File

APPLICATIONS IN ELECTRONIC MATERIALS. A Dissertation. Presented to ..... SA (smooth) and SB steps (jagged) on a Si(001) surface . . . . . . . . . . 36. 2.8. (a).
[ Thesis VI2007.pdf;sequence=1 - Read/Download File

Graphene Formation Research Presentation - Department of
Binding energies of carbon in the different surface states ... "Electron Energy Losses in Thin Graphite Layers", H.R. Patil and J.M.Blakely, J.C Shelton, J. ... " Binding of Carbon Atoms at a Stepped Nickel Surface", L.C. Isett and J.M. Blakely , J. Vac. .... "Formation and Stability of Large Step-free Areas on Si(001) and Si( 111), ...
[ getfile&pageid=85083 - Read/Download File

Understanding reflectance anisotropy: Surface-state signatures and
the 001(24) surfaces of GaP and InP, steps on Si111:H surfaces as well as the ... large supercells and many electronic states required for the calculation of the ..... tained for Si001.13 Furthermore, our results, as well as ear- lier work,54 show ...
[ JVST_B18_2215_2000.pdf - Read/Download File

Studies of Eu- and Yb-induced reconstructions on Si(100) surface
It is found that despite their similar electronic configuration, Eu and Yb do not form similar 2D ... V Formation of ytterbium silicide film on Si(001) by solid-phase epitaxy, M. Kuzmin, R. E. .... Even on nominally flat Si(100) surfaces, steps are.
[ AI387Perala?sequence=1 - Read/Download File

Surfaces - Florida International University
Surfaces: a playground for physics with broken symmetry ..... system's ground state, changing the electronic and/ ..... to grow parallel arrays of these nanowires using the stepped surface as a template [16]. 12 ... that occurs on Si(001) [46–52].
[ Ss500.pdf - Read/Download File

References - Springer
U. Höfer, Decay of electronic excitations at metal surfaces, Surf. Sci. Rep. ... D.M. Ceperley and B.J. Alder, Ground state of the electron gas by a stochastic method ... with correct formal properties: a step beyond the generalized gradient approx- ..... R.A. Wolkow, Direct observation of an increase in buckled dimers on Si(001).
[ 1.pdf - Read/Download File

Atomic-Resolution Surface Spectroscopy with the Scanning
surface irregularities such as impurities, steps, and defects, as well as to examine the electronic .... filled and empty electronic states on the Si(OOl) surface. ...... On Si(001)-(2 x 1) (23, 3 7), normalized spectra reveal a surface-state bandgap of ...
[ annurev.pc.40.100189.002531 - Read/Download File

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