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en:technomathematics:computational_modeling_of_materials:start [2019/04/15 13:45]
pussi [Personnel]
en:technomathematics:computational_modeling_of_materials:start [2020/07/30 09:29] (current)
pussi [Publications]
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 ===== Publications ===== ===== Publications =====
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 +**__Publications 2020__**
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 +     * Sudipta Roy Barman, M. Maniraj, Abhishek Rai, Marian Krajčı́, Pampa Sadhukhan, Vipin Kumar Singh, Katariina Pussi, Deborah L. Schlagel, Thomas A. Lograsso, Ajay Kumar Shukla, Quasiperiodic ordering in thick Sn layer on i-Al-Pd-Mn: A possible quasicrystalline clathrate, Phys. Rev. Research 2, 013023 (2020). 
 +     * Aki Pulkkinen, Bernardo Barbiellini, Johannes Nokelainen, Vladimir Sokolovskiy, Danil Baigutlin, Olga Miroshkina, Mikhail Zagrebin, Vasiliy Buchelnikov, Christopher Lane, Robert S. Markiewicz, Arun Bansil, Jianwei Sun, Katariina Pussi,and Erkki Lähderanta, Coulomb correlation in noncollinear antiferromagneticα-Mn, Phys. Rev. B 101, 075115 (2020).
 +     * Katariina Pussi, Juan Gallo, Koji Ohara, Enrique Carb-Argibay, Yury V. Kolen’ko, Bernardo Barbiellini, Arun Bansil and Saeed Kamali, Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions, Condens. Matter 5(1), 19 (2020).
 +     * O. N. Miroshkina, D. R. Baigutlin, V. V. Sokolovskiy, M. A. Zagrebin, A. Pulkkinen, B. Barbiellini, E. Lähderanta, V. D. Buchelnikov, Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl, Journal of Applied Physics 127(17), 175108, 2020
 +     * J. Nokelainen, C. Lane, R. Markiewicz, B. Barbiellini, A. Pulkkinen, J. Sun, K. Pussi and A. Bansil, Ab initio description of the Bi2Sr2CaCu2O8+δ electronic structure, Phys. Rev. B 101, 214523 (2020).
 +     *  Wei-Chi Chiu, Bahadur Singh, Sougata Mardanya , Johannes Nokelainen , Amit Agarwal , Hsin Lin , Christopher Lane , Katariina Pussi , Bernardo Barbiellini , Arun Bansil, Topological Dirac semimetal phase in bismuth based anode materials for sodium-ion batteries, Condens. Matter 2020, 5(2), 39.
 +     * D. R. Baigutlin, V. V. Sokolovskiy, O. N. Miroshkina, M. A. Zagrebin, J. Nokelainen, et al. Electronic structure beyond the generalized gradient approximation for Ni2MnGa, Phys. Rev. B 102, 045127 (2020).
 +     * M. Rumo, C. W. Nicholson, A. Pulkkinen, B. Hildebrand, G. Kremer, B. Salzmann, M. -L. Mottas, K. Y. Ma, E. L. Wong, M. K. L. Man, K. M. Dani, B. Barbiellini, M. Muntwiler, T. Jaouen, F. O. von Rohr, and C. Monney, Examining the surface phase diagram of IrTe2 with photoemission, Phys. Rev. B 101, 235120 (2020).
 +
 +**__Preprints__**      
 +
 +     * K. Pussi, B. Barbiellini, K. Ohara, E. Carbo-Argibay, Y. V.Kolen’ko, A. Bansil and S. Kamali, Structural properties of PbTe quantum dots revealed by high-energy x-ray diffraction, Accepted to Journal of Physics Condensed Matter (2020).
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 **__Publications 2019__** **__Publications 2019__**
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     * J. Nokelainen, I. V. Rozhansky, B. Barbiellini, E. Lähderanta, and K. Pussi, Gate-tunable magnetism of C adatoms on graphene, Phys. Rev. B 99, 035441 (2019).     * J. Nokelainen, I. V. Rozhansky, B. Barbiellini, E. Lähderanta, and K. Pussi, Gate-tunable magnetism of C adatoms on graphene, Phys. Rev. B 99, 035441 (2019).
     * Daniel W. Davies, Aron Walsh, James J. Mudd, Chris F. McConville, Anna Regoutz, J. Matthias Kahk, David J. Payne, Vin R. Dhanak, David Hesp, Katariina Pussi, Tien-Lin Lee, Russell G. Egdell, and Kelvin H. L. Zhang, Identification of Lone-Pair Surface States on Indium Oxide, J. Phys. Chem. C, 2019, 123 (3), pp 1700–1709     * Daniel W. Davies, Aron Walsh, James J. Mudd, Chris F. McConville, Anna Regoutz, J. Matthias Kahk, David J. Payne, Vin R. Dhanak, David Hesp, Katariina Pussi, Tien-Lin Lee, Russell G. Egdell, and Kelvin H. L. Zhang, Identification of Lone-Pair Surface States on Indium Oxide, J. Phys. Chem. C, 2019, 123 (3), pp 1700–1709
- +    * Bernardo Barbiellini, Aki Pulkkinen, Johannes Nokelainen, Vasiliy Buchelnikov, Vladimir Sokolovskiy, Olga N. Miroshkina, Mikhail Zagrebin, Katariina Pussi, Erkki Lähderanta and Alexander Granovsky,Correlation effects in the ground state of Ni-(Co)-Mn-Sn Heusler compounds, 4, 8 (2019) 441-446
-**__Preprints__**       +    JKuriplach, A. Pulkkinen and B. BarbielliniFirst-principles study of the impact of grain boundary formation in the cathode material LiFePO4Condensed Matter 4(3), 80, 2019
-   * Bernardo Barbiellini, Aki Pulkkinen, Johannes Nokelainen, Vasiliy Buchelnikov, Vladimir Sokolovskiy, Olga N. Miroshkina, Mikhail Zagrebin, Katariina Pussi, Erkki Lähderanta and Alexander Granovsky,Correlation effects in the ground state of Ni-(Co)-Mn-Sn Heusler compounds, accepted to MRS Advances.  +
-     Sudipta Roy Barman, MManirajAbhishek Rai, Marian Krajčı́, Pampa Sadhukhan, Vipin Kumar Singh, Katariina Pussi, Deborah L. Schlagel, Thomas A. LograssoAjay Kumar ShuklaBuckled quasicrystalline Sn layer, Submitted to PRB (2018)+
  
  
 
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