NIEMINEN, RISTO M. / Fisica / Investigadores

Centro Internacional de Investigación Científica

Investigadores

Fisica / NIEMINEN, RISTO M.

Risto.Nieminenhut.fi

Puesto

Academy Professor
Laboratory of Physics
Helsinki University of Technology
Finland

Computational condensed-matter and materials physics; nanosciences and nanotechnology; complex materials and multiscale modelling of their properties and processing; high-performance computing and networking; numerical and computational methods.

Lee,Y.J., Puska,M.J., Ordejón,P., Nieminen,R.M., First-principles modeling of gold nanoclusters as single-electron tunneling devices, Submitted to Phys. Rev. Lett. on 19.11.2003

Torsti, T., Lindberg, V., Makkonen, I., Ogando, E., Räsänen, E., Saarikoski, H., Puska, M.J., Nieminen, R.M., Real-space electronic-property calculations for nanoscale structures, Submitted to Handbook of theoretical and computational nanotechnology on 16.1.2005

Havu, P., Tuomisto, N., Väänänen, R., Puska, M. J., and Nieminen, R. M., Spin dependent electron transport through a magnetic resonant tunneling diode, Submitted to Physical Review B on 23.11.2004 http://arxiv.org/abs/cond-mat/0411609

Jalkanen, K.J., Nieminen, R.M. and Bohr, J., Simulations and analysis of the Raman scattering and differential Raman scattering/Raman optical activity (ROA) spectra of amino acids, peptides and proteins in aqueous solution, Vestnik Moskovskogo Universiteta Khimiya 41, 4-7 (2000).

Pesola, M., Lee, Y.-J., von Boehm, J., Kaukonen, M., and Nieminen, R.M., Structures of Thermal Double Donors in Silicon, Physical Review Letters 84, pp. 5343-5346 (2000).

Jalkanen, K. J., Nieminen, R. M., Frimand, K., Bohr, J., Bohr, H., Wade, R. C., Tajkhorshid, E. and Suhai, S., A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of L-alanine, Chemical Physics 265, 125-151 (2001).

Lee, Y.-J., von Boehm, J., Pesola, M., and Nieminen, R. M., Aggregation Kinetics of Thermal Double Donors in Silicon, Physical Review Letters 86, pp. 3060-3063 (2001).

Gosalvez, M. A., Nieminen, R. M., Kilpinen, P., Haimi, E., Lindroos, V., Anisotropic wet chemical etching of crystalline silicon: atomistic Monte-Carlo simulations and experiments, Applied Surface Science 178, 7-26 (2001). ftp://ftp.fyslab.hut.fi/pub/preprints/mag/etching_ass.pdf

Torpo, L., Marlo, M., Staab, T., and Nieminen, R. M., Comprehensive ab initio study of properties of monovacancies and antisites in 4H-SiC, Journal of Physics: Condensed Matter 13, 6203-6231 (2001). http://stacks.iop.org/0953-8984/13/6203

Lee, Y.-J., Lee, E.-K., and Nieminen, R. M., Effect of potential energy distribution on the melting of clusters, Physical Review Letters 86, 991 (2001).

Elstner, M., Jalkanen, K. J., Knapp-Mohammady, M., Frauenheim, T. and Suhai, S., Energetics and structure of glycine and alanine based model peptides, Chemical Physics 63, 203-219 (2001).

Sternberg, M., Kaukonen, M., Nieminen, R. M. and Frauenheim, Th., Growth of (110) diamond using pure dicarbon, Physical Review B 63, 165414-1-9 (2001). http://prb.aps.org/

Lee, Y.-J., von Boehm, J., and Nieminen, R. M., Interstitial oxygen loss and the formation of thermal double donors in Si, Applied Physics Letters 79, pp. 1453-1455 (2001).

Heiskanen, M., Torsti T., Puska, M. J., Nieminen, R. M., Multigrid method for electronic structure calculations, Physical Review B 63, 245106 (2001). http://link.aps.org/abstract/PRB/v63/e245106

Bohr, H. G., Frimand, K., Jalkanen, K. J. and Nieminen, R. M., Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states, Physical Review E 64, 021905 (2001).

Astala, R., Kaukonen, M., Nieminen, R. M., Jungnickel, G., and Frauenheim, Th., Simulations of diamond nucleation in carbon fullerene cores, Physical Review B 63, 091402-1-4 (2001). http://prb.aps.org/

Bunte, S. W., Jensen, G. M., McNesby, K. L., Goodin, D. B., Chabalowski, C. F., Nieminen, R. M., Suhai, S., and Jalkanen, K. J., Theoretical determination of the vibrational absorption and Raman spectra of 3-methylindole and 3-methylindole radicals, Chemical Physics 265, 13-25 (2001).

Ayuela, A.,Enkovaara, J., and Nieminen, R.M., Ab-initio study of tetragonal variants in Ni2MnGa alloy, Journal of Physics: Condensed Matter 14, 5325 (2002).

Gosalvez, M.A., Foster, A.S., Nieminen, R.M., Atomistic Simulations of Surface Coverage Effects in Anisotropic WetChemical Etching of Crystalline Silicon, Applied Surface Science 202, 160 (2002). ftp://ftp.fyslab.hut.fi/pub/preprints/mag/coverage231202.pdf

Gosalvez, M.A., Foster, A.S., Nieminen, R.M., Atomistic simulations of surface coverage effects in anisotropic wet chemical etching of crystalline silicon, 3rd Workshop on Physical Chemistry of Wet Etching of Silicon, Nara, Japan, June 4-6, 2002, Proc. of the 3rd Workshop on Physical Chemistry of Wet Etching of Silicon No. , 37-40 (2002).

Saarikoski, H., Räsänen, E., Siljamäki S., Harju A., Puska, M.J., and Nieminen, R.M., Electronic properties of model quantum-dot structures in zero and finite magnetic fields, European Physical Journal B 26, 241-252 (2002).

Zabala, N., Puska, M.J., Ayuela, A., Raebiger, H., Nieminen, R.M., Electronic structure and prediction of magnetism in metallic nanowires, Journal of Magnetism and Magnetic Material 249, 193-199 (2002).

Lee, Y.-J., von Boehm, J., Pesola, M., and Nieminen, R.M., First principles study of migration, restructuring and dissociation energies of oxygen complexes in silicon, Physical Review B 65, 085205 (12 pages) (2002).

Marlo, M., Alatalo, M., Harju, A., and Nieminen, R. M., Lateral diatomic two-dimesional artificial molecules: Classical transitions and quantum-mechanical counterparts, Physical Review B 66, 155322 (7 pages) (2002). http://link.aps.org/abstract/PRB/v66/e155322

Lee, Y.-J., Pesola, M., von Boehm, J., and Nieminen, R.M., Local vibrations of thermal double donors in silicon, Physical Review B 66, 075219 (4 pages) (2002).

Enkovaara, J., Ayuela A., Nordström, L., and Nieminen, R.M, Magnetic anisotropy in Ni2MnGa, Physical Review B 65, 134422 (2002).

Foster, A.S., Shluger, A.L., and Nieminen, R.M., Mechanism of interstitial oxygen diffusion in hafnia, Physical Review Letters 89, 225901 (2002). http://www.fyslab.hut.fi/~asf/physics/Articles.html

Gosalvez, M.A., Foster, A.S., Nieminen, R.M., Multiscale Modelling of Anisotropic WetChemical Etching of Crystalline Silicon, Europhysics Letters 60, 467 (2002). ftp://ftp.fyslab.hut.fi/pub/preprints/mag/multiscale011102.pdf

Hakala, M., Puska, M. J., Nieminen, R. M., Native defects and self-diffusion in GaSb, Journal of Applied Physics 91, 4988 (2002).

Foster, A.S., Sulimov, V., Lopez Gejo, F., Shluger, A.L., and Nieminen, R.M., Point Defects in Monoclinic Zirconia, Journal of Non-crystalline Solids 303, 101 (2002). http://www.fyslab.hut.fi/~asf/physics/Articles.html

Foster,Adam S., Barth,Clemens, Shluger,Alexander L., Nieminen,Risto M., and Reichling,Michael, Role of tip and surface relaxation in atomic resolution dynamic force microscopy: CaF2 (111) as a reference surface, Physical Review B 66, 235417 (2002). http://www.fyslab.hut.fi/~asf/physics/Articles.html

Frimand, Kenneth and Jalkanen, Karl J., SCC-TB, DFT/B3LYP, MP2, AM1, PM3 and RHF study of ethylene oxide and propylene oxide structures, VA and VCD spectra, Chemical Physics 279, 161-178 (2002). ~kjj/kjj_ref/CP_279_2002_161.pdf

Lee, Y.-J., von Boehm, J., and Nieminen, R.M., Simulation of the kinetics of oxygen complexes in crystalline silicon, Physical Review B 66, 165221 (11 pages) (2002).

Ayuela, A., Raebiger, H., Puska, M.J., and Nieminen, R.M., Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface, Physical Review B 66, 035417 (2002). http://xxx.lanl.gov/abs/cond-mat/0103384

Enkovaara, J., Ayuela A., Nordström, L., and Nieminen, R.M, Structural, thermal and magnetic properties of Ni2MnGa, Journal of Applied Physics 91, 7798 (2002).

Abdali, S., Jalkanen, K.J., Bohr, H., Suhai, S., Nieminen, R.M., The VA and VCD Spectra of Various Isotopomers of L-alanine in Aqueous Solution, Chemical Physics 282, 219-235 (2002).

Harju, A., Siljamäki, S., and Nieminen, R.M., Two-electron quantum dot molecule: Composite particles and the spin phase diagram, Physical review Letters 88, 226804 (4 pages) (2002). http://arXiv.org/abs/cond-mat/0201076

Siljamäki, S., Harju, A., Nieminen, R. M., Sverdlov, V. A., Hyvönen, P., Various spin-polarization states beyond the maximum-density droplet: a quantum Monte Carlo study, Physical Review B 65, 121306(R) (4 pages) (2002). http://link.aps.org/abstract/PRB/v65/e121306

Harju, A., Siljamäki, S., and Nieminen, R.M., Wigner molecules in quantum dots: a quantum Monte Carlo study, Physical Review B 65, 075309-1-075309-6 (2002). http://link.aps.org/abstract/PRB/v65/e075309

Latham, C.D., Jones, R., Öberg, S., Nieminen, R.M., Briddon, P.R., Calculated properties of nitrogen-vacancy complexes in beryllium- and magnesium-doped GaN, Physical Review B 68, 205209 (5 pages) (2003). http://link.aps.org/abstract/PRB/v68/e205209

Latham, C.D., Nieminen, R.M., Fall, C.J., Jones, R., Öberg, S., Briddon, P.R., Calculated properties of point defects in Be-doped GaN, Physical Review B 67, 205206 (8 pages) (2003). http://link.aps.org/abstract/PRB/v67/e205206

Fraxedas, J., Lee, Y. -J., Jimenez, I., Gago, R., Nieminen, R. M., Ordejon, P., and Canadell, E., Characterization of the unoccupied and partially occupied states of TTF-TCNQ by XANES and first-principles calculations, Physical Review B 68, 195115 (2003).

Gosalvez, M.A., Foster A.S., Nieminen R.M., Dependence of the Anisotropy of Wet Chemical Etching on the Amount of Surface Coverage by OH Radicals, Sensors and Materials 15, 53-65 (2003). ftp://ftp.fyslab.hut.fi/pub/preprints/mag/sensamat150503.pdf

Foster, A.S., Gal, A.Y., Lee, Y.-J., Shluger, A.L., and Nieminen, R.M.,, Dependence of the tip-surface interaction on the surface electronic structure, Applied Surface Science 210, 146 (2003). http://www.fyslab.hut.fi/~asf/physics/Articles.html

Saarikoski H, Puska, M.J., Nieminen, R.M., Electronic structure calculations for 2-D quantum dots and laterally coupled quantum dot molecules in magnetic fields, International Journal of Quantum Chemistry 91, 490-497 (2003).

Räsänen, E., Saarikoski, H., Stavrou, V. N., Harju, A., Puska, M. J., and Nieminen, R. M., Electronic structure of rectangular quantum dots, Physical Review B 67, 235307 (2003). http://link.aps.org/abstract/PRB/v67/e235307

Lee, Y. -J., Nieminen, R. M., Ordejon, P., Canadell. E., First-principles characterization of the electronic structure of the molecular superconductor beta-(BEDT-TTF)2IBr2, Phy. Rev. B Rapid Comm. 67, 180505(R) (2003).

Zayak, A.T., Entel, P., Enkovaara, J., Ayuela, A., and Nieminen, R.M., First-principles investigations of homogeneous lattice-distortive strain and shuffles in Ni2MnGa, J. Phys.:Condens. Matter 15, 159-164 (2003). stacks.iop.org/0953-8984/15/159

Torsti, T., Heiskanen, M., Puska, M. J., and Nieminen, R. M., MIKA: a multigrid-based program package for electronic structure calculations, Int. J. Quantum Chem. 91, 171-176 (2003). http://arxiv.org/abs/cond-mat/0205056

Lehtinen P. O., Foster A. S., Ayuela A., Krasheninnikov A., Nordlund K., Nieminen R. M., Magnetic Properties and diffusion of adatoms on a graphene sheet, Physical Review Letters 91, 017202 (2003).

Lee, Y. -J., von Boehm, J., Pesola, M., and Nieminen, R. M., Oxygen chain models for thermal double donors in silicon, Applied Physics Letters 82, 2094-2096 (2003).

Gosalvez, M.A., Nieminen R.M., Relation between macroscopic and microscopic activation energies in non-equilibrium surface processing, Physical Review E 68, 031604 (2003). ftp://ftp.http://ojps.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PLEEE8000068000003031604000001&idtype=cvips&gifs=yes&jsessionid=337631065000

Marlo, M., Harju, A., and Nieminen, R.M., Role of interactions in the far-infrared spectrum of a lateral quantum dot molecule, Physical Review Letters 91, 187401 (4 pages) (2003). http://link.aps.org/abstract/PRL/v91/e187401

Foster A. S., Pakarinen O. H., Airaksinen J. M., Gale J. D., Nieminen R. M., Simulating atomic force microscopy imaging of the ideal and defectedTiO2 (110) surface, Physical Review B 68, 195410 (2003).

Gosalvez, M.A., Nieminen R.M., Surface morphology during anisotropic wet chemical etching of crystalline silicon, New Journal of Physics 5, 1-28 (2003). http://www.iop.org/EJ/abstract/1367-2630/5/1/400

Saarikoski, H., Räsänen, E.,Siljamäki, S., Harju, A., Puska, M. J., Nieminen, R. M., Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories, Physical Review B 67, 205327 (2003). http://link.aps.org/abstract/PRB/v67/e205327

Foster, A.S., Gal, A.Y., Airaksinen, J.M., Pakarinen, O.H., Lee, Y.J., Gale, J.D., Shluger, A.L., and Nieminen, R.M., Towards chemical identification in atomic resolution NC-AFM imaging with silicon tips, Physical Review B 68, 195420 (2003).

Jalkanen, K. J., Nieminen, R. M., Knapp-Mohammady, M., and Suhai,S., Vibrational Analysis of Various Isotopomers of L-alanyl-L-alanine in Aqueous Solution, International Journal of Quantum Chemistry 92, 239-259 (2003).

Räsänen, E., Saarikoski, H., Puska, M. J., and Nieminen, R. M., Wigner molecules in polygonal quantum dots: A density-functional study, Physical Review B 67, 035326 (2003). http://link.aps.org/abstract/PRB/v67/e035326

Krashennikov, A., Nordlund, K., Lehtinen, P.O., Foster, A.S., Ayuela, A., and Nieminen, R.M., Adsorption and migration of carbon adatoms on carbon nanotubes, Physical Review B 69, 073402 (2004).

Krashennikov, A., Nordlund, K., Lehtinen, P.O., Foster, A.S., Ayuela, A., and Nieminen, R.M., Adsorption and migration of carbon adatoms on zigzag carbon nanotubes, Carbon 42, 1021 (2004).

Foster, A.S., and Nieminen, R.M., Adsorption of acetic and trifluoroacetic acid on the TiO2 (110) surface, Journal of Chemical Physics 121, 9039 (2004).

Harju, A., Räsänen, E., Saarikoski, H., Puska, M.J., Nieminen, R.M., and Niemelä, K., Broken symmetry in density-functional theory: Analysis and cure, Physical Review B 69, 153101 (2004). http://link.aps.org/abstract/PRB/v69/e153101

Lee, Y. -J., Brandbyge, M., Puska, M. J., Taylor, J., Stokbro, K., and Nieminen, R. M., Electron transport through monovalent atomic wires, Physical Review B 69, 125409 (5 pages) (2004).

Havu, P, Puska, M. J. , Nieminen, R. M., Havu, V., Electron transport through quantum wires and point contacts, Physical Review B 70, 233308 (2004). http://arxiv.org/abs/cond-mat/0406163

Räsänen, E., Könemann, J., Haug, R. J., Puska, M. J., and Nieminen, R. M., Impurity effects in quantum dots: Toward quantitative modeling, Physical Review B 70, 115308 (2004). http://link.aps.org/abstract/PRB/v70/e115308

Foster, A.S., Gal, A.Y., Gale, J.D., Lee, Y.J., Nieminen, R.M., and Shluger, A.L., Interaction of silicon dangling bonds with insulating surfaces, Physical Review Letters 92, 036101 (2004).

Raebiger, H., Ayuela, A., Nieminen, R.M., Intrinsic hole localization mechanism in magnetic semiconductors, Journal of Physics: Condensed Matter 16, L457-L462 (2004). http://arXiv.org/abs/cond-mat/0307364

Lehtinen, P.O, Foster, A.S. Ma, Y.,Krasheninnikov, A.V., and R. M. Nieminen, R.M., Irradiation-induced magnetism in graphite: a density-functional study, Physical Review Letters 93, 187202 (2004).

Torsti,T., Lindberg,V.,Makkonen,I., Ogando,E., Räsänen,E., Saarikoski,H., Puska,M.J., and Nieminen,R.M., MIKA - a multigrid-based program package for electronic structure calculations, Psi_k Newsletter, Highlight of the month, October 2004 No. 65, 105-131 (2004). http://psi-k.dl.ac.uk/index.html?newsletters

Ma, Y., Lehtinen, P. O., Foster, A.S., and Nieminen, R. M., Magnetic properties of vacancies in graphene and single-walled carbon nanotubes, New Journal of Physics 6, 68 (2004).

Räsänen, E., Puska, M.J., and Nieminen, R.M., Maximum-density-droplet formation in hard-wall quantum dots, Physica E 22, 490 (2004). http://authors.elsevier.com/sd/article/S1386947703008919

Havu,P.,Havu,V.,Puska,M.J., Nieminen,R.M., Non-Equilibrium Electron Transport in Two-Dimensional Nano-Structures Modeled by Green's Functions and the Finite-Element-Method, Physical Review B 69, 115325 (2004). http://arXiv.org/abs/cond-mat/0308105

Foster, A.S., Shluger, A.L. and Nieminen, R.M., Realistic model tips in simulations of nc-AFM, Nanotechnology 15, S60 (2004).

Räsänen, E., Harju, A., Puska, M. J., and Nieminen, R. M., Rectangular quantum dots in high magnetic fields, Physical Review B 69, 165309 (2004). http://link.aps.org/abstract/PRB/v69/e165309

Lehtinen, P.O., Foster, A.S., Ayuela, A., Vehviläinen, T.T. and Nieminen, R.M., Structure and magnetic properties of adatoms on carbon nanotubes, Physical Review B 69, 155422 (2004).

Saarikoski, H., Harju, A., Puska, M. J., Nieminen, R. M., Vortex Clusters in Quantum Dots, Physical Review Letters 93, 116802 (2004). http://link.aps.org/abstract/PRL/v93/e116802

Räsänen, E., Könemann, J., Haug, R. J., Puska, M. J., and Nieminen, R. M., Characterization of deformed quantum dots by modeling single-electron-tunneling experiments, Physica E 26, 477 (2005). http://authors.elsevier.com/sd/article/S1386947704004527

Raebiger, H., Ayuela, A., von Boehm, J., Nieminen, R.M., Clustering of Mn in (Ga,Mn)As, Journal of Magnetism and Magnetic Materials 290-291P2, 1398-1401 (2005).

Siljamäki, S., Harju, A., Räsänen, E., Suorsa, J., Nieminen, R.M., Diagonalizations on a correlated basis, Physica E 26, 441-445 (2005). http://dx.doi.org/10.1016/j.physe.2004.08.077

Foster, A.S.,Gal, A.Y., Nieminen, R.M. and Shluger, A.L., Probing organic layers on the TiO2 (110) surface, Journal of Physical Chemistry 109, 4554 (2005).

Ma, Y.,Foster, A.S., and Nieminen, R.M., Reactions and clustering of water with silica, Journal of Chemical Physics 122, 1 (2005).

Marlo-Helle, M., Harju, A., and Nieminen, R.M., Singlet-triplet oscillations and far-infrared spectrum of four-minima quantum-dot molecule, Physica E 26, 286-290 (2005). http://dx.doi.org/10.1016/j.physe.2004.08.065

Saarikoski, H., Harju, A., Puska, M. J., Nieminen R. M., Vortex formation in quantum dots in high magnetic fields, Physica E 26, 317-321 (2005). http://dx.doi.org/10.1016/j.physe.2004.08.070

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