Trushin Yu. V., Kulikov D. V., Kharlamov V. S.
High-dose radiation processes in multiatomic and multicomponent materials: theory and computer modelling.
(in russian)
Izv. RAN, ser. phys, v. 62, N 7, 1998, pp. 1421-1424

Technical Physics Letters, Vol. 26. No. 10. 2000. pp. 876-878.
Special Features of the Effect of Oversized Impurities on the Cascade Development in a-Iron Alloys Containing Special Carbides
V.V. Rybin, Yu.V. Trushin, F.Yu. Fedorov, and V.S. Kharlamov

We consider the behavior of an a -iron alloy containing special molybdenum and tungsten carbides (MoC and WC) and oversized impurity atoms (Mo and W) in the solid solution. The effects of molybdenum and tungsten on the development of ballistic (cascade) processes in the alloy under reactor irradiation conditions have been studied by computer simulation methods to assess the possibility of substituting W for Mo in the alloy to obtain low-activated steels.

Sixth International Workshop on New Approaches to High-Tech: Nondestructive Testing and Computer Simulations in Science and Engineering, St. Petersburg, 2002, Preprints and program, Proceedings of SPAS, vol. 6, D2
Computer simulation of the createion of ³¹P doped layer in ²⁸Si/³⁰Si/²⁸ Si heterostructure by neutron transmutation doping
Yu.V. Trushin, G.V. Mikhailov, E.E. Zhurkin, V.S. Kharlamov, A.A. Schmidt, F.A. Krusenstern

Nucl. Instr. and Meth. B, vol. 127/128, 1997, pp. 286-290
Computer simulation of ion sputtering of polyatomic multilayered targets
B. J. Ber, V. S. Kharlamov, Yu. A. Kudrjavtsev, A. V. Merkulov, Yu. V. Trushin, E. E. Zhurkin

The novel binary collision approximation Monte Carlo (BCA-MC) computer codes TRIRS and DYTRIRS for simulating ion sputtering of polyatomic nonuniform amorphous targets are presented. TRIRS simulates the collision cascade in a target and related secondary processes, including sputtering, damage generation etc., being more realistic than similar MC-BCA codes in modeling low-energy interatomic collisions. These improvements ensure better simulation of low-energy atomic collision processes in nonuniform targets, like sputtering, and ultra-low energy ion implantation. DYTRIRS is the extension of TRIRS that simulates the dynamics of the ballistic stage of ion-induced modification and sputtering for a target under high fluence ion irradiation. The efficiency of DYTRIRS is verified by comparing of the simulation of sputtering and secondary-ion mass-spectrometry in-depth compositional profiling of molecular-beam epitaxy grown two-dimensional (Al,Ga)As-GaAs (001) heterostructures, including structures with silicon and aluminum marker layers.  

Inorganic Materials., vol. 34(10), 1998, pp. 1042-1048
Dynamic simulation of radiation-induced defect formation in multicomponent layered materials in the cascade stage
B. J. Ber, E. E. Zhurkin, Yu. A. Kudrjavtsev, Yu. V. Trushin, V. S. Kharlamov,

A physical model is proposed for ballistic processes under high-fluence ion bombardment, with allowance made for sputtering, ion-bean mixing, and accumulation of radiation-induced defects. Simulated sputtering depth profiles of irradiated AI/GaAs heterostructures are compared with experimental data.  

Proc. of SPIE, vol. 3687, 1999, pp. 274-277
Displacement threshold energies of impurity atoms in GaAs heterostructures
Boris J. Ber, Yuri A. Kudrjavtsev, Vladimir S. Kharlamov, Yuri V. Trushin, Evgeni E. Zhurkin

The new approach for the determination of displacement threshold energies (E_d ) of impurity atoms in mutlicomponent target has been proposed. The approach combines an experimental SIMS-profiling technique and a computer simulation by a dynamic DYTRIRS code. The developed approach was applied for the determination of E_d the for Al and In impurity atoms in GaAs targets.

Proc.of SPIE v.4348 (2001) pp.275- 281.
Estimation of the displacement threshold energies in Si and GaAs by means of the sputtering of structures with thin marker layers
V.S. Kharlamov, B.J.Ber, Yu.V. Trushin, E.E. Zhurkin, A.P. Kovasky A.A. Schmidt

Abstracts of Nanotechnologies in the area of physics, chemestry and biology, Fifth ISTC Scientific Advisory Committee Seminar, St Petersburg, Russia, 2002, p. 101
Combined experimental and computer simulation technique for the restoration of in-depth elemental distributions in SIMS profiling analysis of nanostructures
Yu.V. Trushin, B.Ja. Ber, E.E. Zhurkin, D.V. Kulikov, V.S. Kharlamov and A.A. Schmidt

J. Phys. D: Appl. Phys., vol. 31, 1998, pp. 2241-2244
Study of ion beam assisted deposition of AI/AIN multilayers by comparison of computer simulation and experiment
X. Wang, V. Kharlamov, A. Kolitsch, M. Posselt, Y. Trushin, W. Moeller

Nanoscale AI/AIN multilayers have been fabricated by ion beam assisted deposition at various nitrogen ion energies, fluxes and ion-to-atom arrival rate ratios. Computer simulations are performed to describe the deposition process and for comparison with the experimental results. At lower ion energies, fluxes and ion-to-atom ratios, the calculated results are in good agreement with the experimental data. Under this condition film formation is dominated by ballistic processes. For higher ion energies, fluxes and ion-to-atom ratios, comparison of the simulations with experiments reveals that, in addition to ballistic processes, diffusional and chemical processes may play a significant role in film formation.  

Phys. Stat. Sol. (a), vol. 166, 1998, pp. 91-106
Concentration profiles in laser-deposited Ni/C and W/C multilayers
V. Kharlamov, M. Bobeth, R. Dietsch, A. Gorbunov, R. Krawietz, H. Mai, W. Pompe, A. Sewing, Yu. Trushin

Experimental studies of concentration profiles in Ni/C and W/C multilayers prepared by pulsed laser deposition are compared with ballistic simulations of the deposition process by means of the computer code TRIDYN. One part of the deposited particles processes kinetic energies of about 100 eV and leads to a ballistic mixing of the deposited layers. As a consequence, diffisive interface concentration profiles arise and the concentrations within the individual layers depend on the layer thickness. The concentration profiles can be highly asymmetric between adjacent interfaces as observed e. g. in W/C multilayers. Simulations predict that the interface width for the deposition of W onto C is up to 3. 5 times larger than in the opposite case. Differences between simulation results and HREM, AES, X-ray and XPS studies suggest that the resulting interface concentration are essentially influenced by compound formation as weii as by demixing of components occurring during deposition.  

Proc. of SPIE, vol. 3345, 1998, pp. 244-253
Non-Conventional Transition Layer Formation during PLD of nm-Period Multilayers
A. Gorbunov, K. Brand, H. Geisler, J. Noetzel, B. Wehner, A. Tselev, V. Kharlamov, H. Mai, J. Thomas, H. Lichte, W. Pompe, J. Trushin, E.Wieser, H. Worch

During pulsed laser deposition ions with kinetic energies of the order of 100 eV can already cause intermixing of nm-periodical multilayers followed by non-conventional phase formation in the transition layers, hi the present paper experimental studies of concentration profiles in Ni/C, Fe/Al, Co/Cu multilayers prepared by pulsed laser deposition are compared with ballistic simulations of the deposition process. It was found that generally the ballistic simulation provides the right order of magnitude of the real transition layer width. Unusual phase formation in transition layers including supersaturation, amorphization, pseudomorphism, demixing, and interface coarsening are considered to be a result of solid-state processes directed towards minimization of the free energy of the system.  

Tech. Phys. Lett., vol. 23(8), 1997, pp. 617-620
High-temperature high-dose implantation of N⁺ and Al⁺ ions in 6H-SiC
R. A. Yankov, M. Voelskow, W. Kreissig, D. V. Kulikov, J. Pezoldt, W. Skorupa, Yu. V. Trushin, V. S. Kharlamov, D. N. Tsigankov

A series of experimental and theoretical investigations has been initiated for 6H-SiC samples sequentially implanted with high doses of N⁺ (65 keV) + N⁺ (120keV) + Al⁺ (100keV) + Al⁺ (160 keV) ions at temperatures between 200 and 800^oC. Nytrogen and carbon distribution profiles are measured by ERD and structural defect disributions are measured by Rutherford backscattering with channeling. A comparison between the experimental data and the results of computer simulation yields a physical model to describe the relaxation processes opf the implanted SiC structure, where the entire implanted volume is devided into regions of different deph, having different guiding kinetics mechanisms.  

Proc. of SPIE, vol. 3345, 1998, pp. 260-263
Computer simulation RBS/C studies of high dose N⁺ and Al⁺ co-implantation in 6H-SiC
V. S. Kharlamov, D. V. Kulikov, Yu. V. Trushin, D. N. Tsigankov, R. A. Yankov, M. Voelskow, W. Skorupa, J. Pezoldt

The (SiC) (AlN) system is being extensively investigated due to the full miscibility of the two constituents, SiC and AlN, their good thermal and lattice matches, and the the possibility of modifying the band gap of the resulting structure over a wide range of 2.9 eV (6H-SiC) to 6.2 eV (2H-AlN). From a practical viewpoint, the solid solutions of SiC and AlN are promising materials for advanced high-temperature electronic and optoelectronic devices. One novel method of producing thin layers of (SiC)(AlN) potentially suitable for microelectronic applications is the use of N and Al co-implantation into 6H-SiC at elevated temperatures followed by annealing, i. e. ion-beam synthesis. Hitherto, to the best of our knowledge, there has been only one report on the formation of buried (SiC)(AlN) layers in 6H-SiC by ion-beam synthesis. This work is an attempt to model the fundamental processes that occur when 6H-SiC is implanted at elevated substrate temperatures with high doses of N⁺ and Al⁺ ions to form thin buried layers of (SiC)(AlN) having predetermined composition and dimensions. Results from the calculations have been correlated with those obtained by Rutherford backscattering channelling spectrometry (RBS/C).  

Materials Science Forum, vol. 264-268, 1998, pp. 757-760
A computational model of the formation of (SiC)(AlN) by hot, high-dose N⁺ and Al⁺ co-implants in 6H-SiC
Yu. V. Trushin, R. A. Yankov, V. S. Kharlamov, D. V. Kulikov, D. N. Tsigankov, U. Kreissig, M. Voelskow, J. Pezoldt, W. Skorupa

This work is an attempt to model the processes that occur when 6H-SiC is implanted at elevated substrate temperatures with high doses of N⁺ and Al⁺ ions to form thin buried layers of (SiC)(AlN). The theoretical treatment has involved ballistic calculations of the distribution of the above species and the resulting ion-induced defects by means of computer codes (developed specially for modelling multi-elemental targets) that take into account the effect of cascade overlapping at high ion doses. Results from the computer simulations have been correlated with data obtained by Rutherford backscattering spectrometry/ion channeling (RBS/C) and elastic recoil detection (ERD) techniques, and good agreement has been achieved between theory and experiment. The analysys of the theoretical and experimental findings has enabled five specific regions to be identified in the implanted material which are discus-sed in detail.  

Tech. Phys., vol. 44(10), 1999, pp. 1168-1174
Physical model for the evolution of the defect system of silicon carbide with allowance for the internal elastic stress fields during implantation of Al⁺ and N⁺ and subsequent annealing
D. V. Kulikov, Yu. V. Trushin, P. V. Rybin, V. S. Kharlamov

A theoretical analysis is offered for the formation and development of defects in silicon carbide implanted with nitrogen and aluminum ions and annealed. The diffusion of defects, the formation of complexes, and the influence of the internal elastic stress fields produced by the implanted ions and the created complexes on the migration of interstitials are taken into account. The computed distributions of defects agree satisfactory with the experimental data. acertain kinetic parameters of silicon carbide are estimated numerically.  

Tech. Phys. Lett., vol. 22(11), 1996, pp. 920-922
Computersimulation of point magnetic-flux pinningcenters in a neutron-irradiated YBaCuO single crystal
D. V. Kulikov, R. A. Suris, Yu. V. Trushin, V. S. Kharlamov,D. N. Tsigankov

A model is presented for the evolution of point defects generated by neutron irradiation in YBaCuO. The concentrations of point defects generated by the neutron irradiaion are calculated. It is shown that by annealing the irradiated sample at room temperature (in the reactor channel) it is possible to form small clusters of point defects in concentrations sufficient for effective pinning of the magnetic flux. This model can explain the anisotropy in the lowering of the critical current density by annealing of irradiated samles and shows that the critical current in the presence of a magnetic field parallel to ab-plane is proportional to the concentration of pinning defects.  

Physica C, vol. 282/287, 1997, pp. 1333-1334
Small defects in YBCO single crystals: Tc after neutron irradiation and annealing
F. M. Sauerzopf, M. Werner, H. W. Weber, R. A. Suris, D. V. Kulikov, V. S. Kharlamov, Yu. V. Trushin

Neutron irradiation of HTCs creates a wide spectrum of defect sizes. In this work, the influence of small defects on the critical temperature is investigated by sequential reactor neutron irradiation and annealing of a YBCO single crystal. Thecharacteristic behaviour of Tc under this treatment is satisfactorily explained by a theoretical model considering the creation, migration and annihilation of small defects in the oxygen sublattice.  

Proc. of SPIE, vol. 3345, 1998, pp. 241-248
Physical model of pinning centers annealing processes in neutron irradiated YBaCuO
Kulikov D. V., Suris R. A., Trushin Yu. V., Kharlamov V. S., Tsigankov D. N.

Neutron irradiation of HTSCs creates a wide spectrum of defect sizes. In this work, the influence of small defects on the critical temperature and critical current density Jc is investigated. The characteristic behaviour of Tc and Jc under this treatment is satisfactorily explained by a theoretical model considering the creation, migration and annihilation of small defects in the oxygen sublattice.  

Proc.of SPIE v.4348, 2001, pp.264-269
Computer simulation of ferroelectric property changes in PLZT ceramics under neutron irradiation.
D.V. Kulikov, Yu.V. Trushin, V.S. Kharlamov, R.Bittner, K.Humer, H.W. Weber, A.R. Sternberg, D.A. Lesnyh, A.A. Schmidt

The response of ferroelectric materials to high energy irradiation is of great interest because of their possible application in radiation environments such as thermonuclear reactors. In the present work a physical model for the defect evolution in PLZT ceramics under neutron irradiation and annealing is proposed. The influence of the defect system on the ferroelectric properties of these materials has been investigated. Satisfactory agreement between the theoretically estimated oxygen defect concentration after irradiation and annealing and the experimentally determined polarization has been obtained.

Nucl. Instr. and Meth. B, v. 196, 2002, pp. 39-50
The estimation of sputtering yields for SiC and Si
G. Ecke, R. Kosiba, V. Kharlamov, Yu. Trushin, J. Pezoldt

Proc. of 43^rd International Field Emission Sumposium, Moscow, Russia, July 14-19, 1996, p. 90
Formation of periodic multi-tip relief of pirolithic graphite by high energy ions irradiation
A.L. Suvorov, A.Yu. Didec, Yu.N. Cheblukov, V.P. Babaev, A.S. Fedorov, M.O. Popov, Yu.N. Trushin, R.A. Suris, V.S. Kharlamov, D.V.Kulicov

Tech. Phys. Lett., v.23(7), 1997, pp. 573-574
Physical model of the formationof a periodic structure on the surface of pyrolitic graphite under high-energy ion bombardment
D. V. Kulikov, R. A. Suris, A. L. Suvorov, Yu. V. Trushin, V. S. Kharlamov

A physical model is presented for the formation of a structure consisting of "micropoints" and "cavities" on the surface of pyrolitic graphite bombarded by 210 MeV Kr⁺ ions. This structure may be explained in terms of the depth distribution of the energy deposited by the bombardment.  

Vacuum, vol. 52, 1999, pp. 407-410
Computer simulation of transition from h-BN to c-BN during ion beam assisted deposition
V. S. Kharlamov, D. V. Kulikov, Yu. V. Trushin

A model is proposed of c-BN growth during the ion Beam assisted deposition procces. This phase appears when N and B atoms in h-BN create inserted ab-planes that increase the density of the material, resulting in transition from h-BN to c-BN. The aim is to simulate the processes that occur in growing BN films that lead to the phase transition. The ballistic processes caused by ion beam have been simulated by means of Monte Carlo computer codes TRIRS and DYTRIRS. With the help of computer code GEAR the annealing of the profiles of bombarding particles (Ar, N, B) have been modelled. The sink strengths of dislocation loops and migration energies of Ar, B and N atoms in BN have been estimated. These loops can act as nuclei of inserted ab-planes consisted of B and N, leading to formation of c-BN. It is shown that, according to our model, the transition from h-BN to c-BN is indeed possible, under certain conditions.  

Proc. of SPIE, vol. 3687, 1999, pp. 290-291
Physical model of copper clusters formation in hydrogenated amorphous carbon grown by ion co-sputtering of graphite and copper
D.V. Kulikov, Yu.V. Trushin, V.S. Kharlamov

The size distribution function of copper clusters formed in growing DLC films has been obtained by computer simulation. The reasonable agreement of theoretical and experimental results has been achieved. The value of surface activation migration energy of copper has been estimated.

Techn. Phys. Lett., vol. 25(3), 1999, pp. 198-199.
Size distribution of copper nanoclusters in amorphous carbon.
Kulikov D.V., Trushin Yu.V., Kharlamov V.S., Ivanov-Omski V.I.

A theoretical analysis is made of the formation of copper nanoclusters in a growing amorphous carbon film. The calculated size distributions of the copper clusters are compared with the experimental data. A numerical estimate is made of various kinetic parameters of copper in amorphous carbon

Nucl. Instr. and Meth. B, v.193, 2002, pp.538-543
Atomic scale modelling of nanosize Ni3Al cluster beam deposition on Al, Ni and Ni3Al (111) surfaces
V.S. Kharlamov, E.E. Zhurkin, M. Hou

Phys. Rev. B, v.66, 2002, 195408
Atomic-scale modelling of cluster-assembled NixAl1-x thin films
M. Hou, V.S. Kharlamov, E.E. Zhurkin

Proc. of SPIE, v.5127, 2003, pp.124-127
Computer simulation of the creation of 31P doped layer in 28Si/30Si/28Si heterostructure by neutron transmutation doping
Yu.V. Trushin, G.V. Mikhailov, E.E. Zhurkin, V.S. Kharlamov, A.A. Schmidt, F.A. Krusenstern