Structural, electronic, and transport properties of quintuple atomic Janus monolayers NN Hieu, HV Phuc, AI Kartamyshev, TV Vu
Physical Review B 105 (7), 075402, 2022
63 2022 Oxygenation of Janus group III monochalcogenides: First-principles insights into TV Vu, VTT Vi, HV Phuc, AI Kartamyshev, NN Hieu
Physical Review B 104 (11), 115410, 2021
50 2021 Interaction of Ti and Cr atoms with point defects in bcc vanadium: A DFT study AO Boev, DA Aksyonov, AI Kartamyshev, VN Maksimenko, IV Nelasov, ...
Journal of Nuclear Materials 492, 14-21, 2017
32 2017 Enhanced out-of-plane piezoelectricity and carrier mobility in Janus γ /Y = S, Se, Te) monolayers: A first-principles prediction TV Vu, HV Phuc, AI Kartamyshev, NN Hieu
Applied Physics Letters 122 (6), 061601, 2023
30 2023 Ab initio-based prediction and TEM study of silicide precipitation in titanium DO Poletaev, AG Lipnitskii, AI Kartamyshev, DA Aksyonov, ES Tkachev, ...
Computational Materials Science 95, 456-463, 2014
29 2014 Rashba-type spin splitting and transport properties of novel Janus XWGeN 2 (X= O, S, Se, Te) monolayers TV Vu, HV Phuc, CV Nguyen, VTT Vi, AI Kartamyshev, NN Hieu
Physical Chemistry Chemical Physics 24 (27), 16512-16521, 2022
25 2022 Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer TV Vu, AI Kartamyshev, NV Hieu, TDH Dang, SN Nguyen, NA Poklonski, ...
RSC Advances 11 (15), 8552-8558, 2021
25 2021 Outstanding elastic, electronic, transport and optical properties of a novel layered material C 4 F 2: first-principles study TV Vu, HV Phuc, S Ahmad, VQ Nha, C Van Lanh, DP Rai, AI Kartamyshev, ...
RSC Advances 11 (38), 23280-23287, 2021
16 2021 Development of an interatomic potential for titanium with high predictive accuracy of thermal properties up to melting point AI Kartamyshev, AG Lipnitskii, VN Saveliev, VN Maksimenko, IV Nelasov, ...
Computational Materials Science 160, 30-41, 2019
15 2019 Novel Janus GaInX 3 (X= S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties TV Vu, NN Hieu, AA Lavrentyev, OY Khyzhun, CV Lanh, AI Kartamyshev, ...
RSC advances 12 (13), 7973-7979, 2022
13 2022 Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials VN Maksimenko, AG Lipnitskii, VN Saveliev, IV Nelasov, AI Kartamyshev
Computational Materials Science 198, 110648, 2021
13 2021 First principles analysis of the half-metallic ferromagnetism, elastic and thermodynamic properties of equiatomic quaternary Heusler compound CoCrRhSi DM Hoat, DQ Hoang, NTT Binh, M Naseri, JF Rivas-Silva, AI Kartamyshev, ...
Materials Chemistry and Physics 257, 123695, 2021
13 2021 Angular dependent interatomic potential for Ti–V system for molecular dynamics simulations AI Kartamyshev, AG Lipnitskii, AO Boev, IV Nelasov, VN Maksimenko, ...
Modelling and Simulation in Materials Science and Engineering 28 (5), 055010, 2020
13 2020 Molecular Dynamics Simulations of the Excess Vacancy Evolution in V and V-4Ti A Boev, I Nelasov, V Maksimenko, A Lipnitskii, V Saveliev, A Kartamyshev
Defect and Diffusion Forum 375, 153-166, 2017
13 2017 First-principles calculations to investigate electronic properties of ZnO/PtSSe van der Waals heterostructure: Effects of vertical strain and electric field AI Kartamyshev, TV Vu, S Ahmad, S Al-Qaisi, TDH Dang, NLT Dang, ...
Chemical Physics 551, 111333, 2021
12 2021 The interaction between light impurities and vacancies in titanium and aluminum metals: A DFT study AI Kartamyshev, DD Vo, AG Lipnitskii
St. Petersburg Polytechnical University Journal: Physics and Mathematics 2 …, 2016
12 2016 Predicted novel Janus γ-Ge2 XY (S, Se, Te) monolayers with Mexican-hat dispersions and high carrier mobilities TV Vu, HV Phuc, LC Nhan, AI Kartamyshev, NN Hieu
Journal of Physics D: Applied Physics 56 (13), 135302, 2023
11 2023 Mexican-hat dispersions and high carrier mobility of γ-SnX (X= O, S, Se, Te) single-layers: a first-principles investigation VV Tuan, AA Lavrentyev, OY Khyzhun, NTT Binh, NV Hieu, ...
Physical Chemistry Chemical Physics 24 (47), 29064-29073, 2022
10 2022 P-substitution effects on the electronic structure and thermal properties of the half-metallic half-Heusler NaCrBi compound DM Hoat, M Naseri, R Ponce-Pérez, JF Rivas-Silva, AI Kartamyshev, ...
Chemical Physics 537, 110848, 2020
10 2020 The N-body interatomic potential for molecular dynamics simulations of diffusion in tungsten VN Maksimenko, AG Lipnitskii, AI Kartamyshev, DO Poletaev, YR Kolobov
Computational Materials Science 202, 110962, 2022
9 2022 
Nelasov I.V. (Неласов И.В. ) (https://or...Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry RASEmail được xác minh tại icp.ac.ru
