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Thermal disorder and correlation effects in anti-perovskite-type copper nitride 

Timoshenko, Janis; Anspoks, Andris; Kalinko, Alexandr; Kuzmin, Alexei (Elsevier Ltd, 2017)
Reverse Monte Carlo simulations coupled with evolutionary algorithm were employed for the analysis of the temperature dependent (10–300 K) Cu K-edge extended X-ray absorption fine structure (EXAFS) spectra of polycrystalline ...
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Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: The effect of the supercell size 

Krack, M.; Bocharov, Dmitry; Rafalskij, Yuri; Kuzmin, Alexei; Purans, Juris (Elsevier B.V., 2020)
Scandium fluoride (ScF3) belongs to a class of negative thermal expansion (NTE) materials. It shows a strong lattice contraction up to about 1000 K switching to expansion at higher temperatures. Here the NTE effect in ScF3 ...
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Fast-Response Single-Nanowire Photodetector Based on ZnO/WS2 Core/Shell Heterostructures 

Butanovs, Edgars; Vlassov, Sergei; Kuzmin, Alexei; Piskunov, Sergei; Butikova, Jelena; Polyakov, Boris (American Chemical Society, 2018)
The surface plays an exceptionally important role in nanoscale materials, exerting a strong influence on their properties. Consequently, even a very thin coating can greatly improve the optoelectronic properties of ...
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Analysis of the U L3-edge X-ray absorption spectra in UO2 using molecular dynamics simulations 

Bocharov, Dmitry; Chollet, Mélanie; Krack, Matthias; Bertsch, Johannes Johannes; Grolimund, Daniel; Martin, Matthias; Kuzmin, Alexei; Purans, Juris; kotomin, Eugene A. (Elsevier Ltd, 2017)
Uranium L3-edge X-ray absorption spectroscopy was used to study the atomic structure of uranium dioxide (UO2). The extended X-ray absorption fine structure (EXAFS) was interpreted within the ab initio multiple-scattering ...
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Tuning the Photoresponse of Nano-Heterojunction: Pressure-Induced Inverse Photoconductance in Functionalized WO3 Nanocuboids 

Rahman, Saqib; Samanta, Sudeshna; Kuzmin, Alexei; Errandonea, Daniel; Saqib, Hajra; Brewe, Dale L.; Kim, Jaeyong; Lu, Junling; Wang, Lin (John Wiley and Sons Inc., 2019)
Inverse photoconductivity (IPC) is a unique photoresponse behavior that exists in few photoconductors in which electrical conductivity decreases with irradiation, and has great potential applications in the development of ...
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Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method 

Jonane, Inga; Cintins, Arturs; Kalinko, Aleksandr; Chernikov, Roman; Kuzmin, Alexei (Elsevier Ltd, 2019)
Reversible thermochromic phase transition between α- and γ-phases was studied in CuMoO4 and CuMo0.90W0.10O4 using X-ray absorption spectroscopy in the temperature range of 10–300 K. Reverse Monte Carlo modelling with ...
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Formation of dislocations in LiF irradiated with 3He and 4He ions 

Manika, Ilze P.; Zabels, Roberts; Maniks, Janis J.; Schwartz, Kurt; Grants, Rolands; Krasta, T.; Kuzmin, Alexei (Elsevier B.V., 2018)
Influence of the irradiation with 13.5 MeV 3He and 5 MeV 4He ions on the micro-structure and mechanical properties of LiF single crystals was studied. The depth profiles of nanoindentation, dislocation mobility, selective ...
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Advanced approach to the local structure reconstruction and theory validation on the example of the W L3-edge extended X-ray absorption fine structure of tungsten 

Jonane, Inga; Anspoks, Andris; Kuzmin, Alexei (IOP Publishing, 2018)
Atomistic simulations of the experimental W L3-edge extended x-ray absorption fine structure (EXAFS) of bcc tungsten at T = 300 K were performed using classical molecular dynamics (MD) and reverse Monte Carlo (RMC) methods. ...
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Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics 

Bocharov, Dmitry; Anspoks, Andris; Timoshenko, Janis; Kalinko, Aleksandr; Krack, Matthias; Kuzmin, Alexei (Elsevier Ltd, 2020)
Cubic copper nitride (Cu3N) has anti-perovskite structure, and its properties are strongly affected by anisotropic thermal vibrations of copper atoms. Ab initio molecular dynamics (AIMD) simulations were performed in the ...
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Influence of Pressure and Temperature on X-Ray Induced Photoreduction of Nanocrystalline CuO 

Kuzmin, Alexei; Anspoks, Andris; Nataf, L.; Baudelet, F.; Irifune, T. (Sciendo, 2018)
X-ray absorption spectroscopy at the Cu K-edge is used to study X-ray induced photoreduction of copper oxide to metallic copper. Although no photoreduction has been observed in microcrystalline copper oxide, we have found ...
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Kuzmin, Alexei (72)
Anspoks, Andris (19)Kalinko, Aleksandr (18)Pudza, Inga (13)Purans, Juris (11)Jonane, Inga (10)Cintins, Arturs (9)Welter, Edmund (9)Polyakov, Boris (8)Butanovs, Edgars (7)... View MoreSubjectNATURAL SCIENCES:Physics (44)NATURAL SCIENCES (26)EXAFS (19)X-ray absorption spectroscopy (13)reverse Monte Carlo (8)XANES (8)CuMoO4 (4)Extended X-ray absorption fine structure (EXAFS) (4)high-entropy alloys (4)phase transition (4)... View MoreDate Issued2024 (8)2023 (8)2022 (9)2021 (14)2020 (10)2019 (7)2018 (12)2017 (4)

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