Phonon, plasmon and electronic properties of surfaces and interfaces of periodic W/Si and Si/W multilayers

N Kumar, AT Kozakov, AV Nezhdanov… - Physical Chemistry …, 2021 - pubs.rsc.org
The phonon and plasmon excitations and electronic properties of interfaces of periodic W/Si
and Si/W multilayer structures were investigated. The Boson band originated from quasilocal …

Self-diffusion in amorphous silicon

F Strauß, L Dörrer, T Geue, J Stahn, A Koutsioubas… - Physical review …, 2016 - APS
The present Letter reports on self-diffusion in amorphous silicon. Experiments were done on
Si 29/Si nat heterostructures using neutron reflectometry and secondary ion mass …

Phase-microstructure of Mo/Si nanoscale multilayer and intermetallic compound formation in interfaces

N Kumar, AV Nezhdanov, RM Smertin, VN Polkovnikov… - Intermetallics, 2020 - Elsevier
Microstructural investigation of the Mo/Si nanoscale multilayers (MLs) is essential to design
high-reflective nanomirrors. Raman spectroscopy showed existence of silicon layer in the …

Molecular dynamics study of structural and dynamical properties of amorphous Si-Ge alloys

M Ishimaru, M Yamaguchi, Y Hirotsu - Physical Review B, 2003 - APS
Structural and dynamical properties of amorphous silicon-germanium (a− Si 1− x Ge x)
alloys have been examined by molecular dynamics simulations using the Tersoff interatomic …

Growth of amorphous selenium thin films: classical versus quantum mechanical molecular dynamics simulation

J Hegedüs, S Kugler - Journal of Physics: Condensed Matter, 2005 - iopscience.iop.org
We present the first molecular dynamics simulation of the vacuum deposition of amorphous
selenium films. We compare the classical, tight-binding and Hubbard-term corrected tight …

Bonding in amorphous carbon-nitrogen alloys: A first principles study

AA Valladares, F Álvarez-Ramírez - Physical Review B—Condensed Matter …, 2006 - APS
An analysis of the bonding structure of nine different amorphous carbon-nitrogen alloys, aC
1− x N x, of concentrations 0⩽ x⩽ 0.45, is performed on ab initio generated atomic random …

What is the origin of tail states in amorphous semiconductors?

S Kugler - Journal of Physics: Conference Series, 2010 - iopscience.iop.org
The tight-binding molecular dynamics simulations and reverse Monte Carlo structural
modeling method were applied in order to investigate the existence of small bond angles …

Unusual atomic arrangements in amorphous silicon

S Kugler, K Kohary, K Kádas, L Pusztai - Solid state communications, 2003 - Elsevier
The existence of small bond angles (like those of triangles and squares) in amorphous
silicon networks were studied by the tight-binding molecular dynamics method, by analyzing …

Short range atomic migration in amorphous silicon

F Strauß, B Jerliu, T Geue, J Stahn… - Journal of Applied …, 2016 - pubs.aip.org
Experiments on self-diffusion in amorphous silicon between 400 and 500 C are presented,
which were carried out by neutron reflectometry in combination with 29 Si/nat Si isotope …

Growth of amorphous silicon: Low energy molecular dynamics simulation of atomic bombardment

K Kohary, S Kugler - Molecular Simulation, 2004 - Taylor & Francis
Non-crystalline silicon networks were constructed by atomic deposition and by rapid
quenching. The tight-binding molecular dynamics (TBMD) method which had been …