| (1) Depositions of novel Si-B-C-N materials |
| Papers 3,5,7,11,12 |
|
New
quaternary Si-B-C-N
materials are
of great interest due to
their potential applications in coating technologies and
microelectronics. They can posses a useful set of properties such as
extraordinary high thermal stability and oxidation resistance, high
hardness, low stress, good adhesion and wide optical transparency
window. Materials are prepared by reactive magnetron sputtering in
plasma discharge (Balzers BAS 450 sputtering system). There are
studied complex relationships between process parameters (composition
of sputtered target, sputtering current, total pressure, gas mixture
composition, rf substrate bias, temperature of the substrate, total gas
flow), elemental composition of the films, their bonding structure,
material structure and microstructure and their mechanical, electrical
and optical properties.
|
| (2) Analysis of discharge plasma mainly by energy-resolving mass spectroscopy |
| Papers 2,8 |
|
Discharge
plasma is analysed
using
mass spectrometer EQP
300 Hiden Analytical. There are studied processes of both physical and
chemical sputtering of individual elements from various targets under
various deposition conditions (configuration of the sputtering system,
discharge mixture composition, substrate bias) and transfer of
these elements, their reaction products and ionts of working gas on
substrate.
|
| (3) Simulations of structures and properties of experimentally prepared materials |
| Papers 1,4,6,9,10,13-15 |
|
Structures
and properties of experimentally
prepared
materials are simulated (1) by ab-initio calculations, namely
density functional theory as implemented in the CPMD
(Car-Parrinello Molecular Dynamics) and PWSCF (Plane-Wave
Self-Consistent Field) codes, and (2) b classical moleculer-dynamics
calculations as implemented in the LAMMPS (Large Scale Atomistic and
Molecular Parallel Simulator) and DLPOLY codes. Effects of
elemental composition, material density, flux and energy of bombarding
ions on
characteristics of materials studied are analysed on
atomic level. The characteristics of interest
include amorphous (e.g. bonding statistics) or nanorystalline (e.g.
crystal sizes) structure, role of individual elements,
length and ionicity of bonds, elastic properties (e.g. bulk modulus),
compressive stress, electronic structure and band gap or temperature
stability of networks. Materials of interest include a-Si-B-C-N, a-C:H,
a-SiN:H, nc-TiN/a-SiNx, fcc-TiSiCN or fcc-CrSiCN.
|