Publications

  1. S. Lisenkov, B. K. Mani, C.-M. Chang, J. Almand, and I. Ponomareva, "Multicaloric effect in ferroelectric PbTiO3 from first principles", Physical Review B 87, 224101 (2013).

     

  2. D. Sando, A. Agbelele, D. Rahmedov, J. Liu, P. Rovillain, C. Toulouse, I. C. Infante, A. P. Pyatakov, S. Fusil, E. Jacquet, C. Carretero, C. Deranlot, S. Lisenkov, D. Wang, J-M. Le Breton, M. Cazayous, A. Sacuto, J. Juraszek, A. K. Zvezdin, L. Bellaiche, B. Dkhil, A. Barthelemy & M. Bibes,"Crafting the magnonic and spintronic response of BiFeO3 films by epitaxial strain", Nature Materials , (2013).

     

  3. Jeevaka Weerasinghe, L. Bellaiche, T. Ostapchuk, P. Kuzel, C. Kadlec, S. Lisenkov, I. Ponomareva and J. Hlinka, "Emergence of central mode in the paraelectric phase of ferroelectric perovskites", MRS Communications 3, 41-45 (2013).

     

  4. Antonis N. Andriotis, Giannis Mpourmpakis, Sergey Lisenkov, Michael R. Sheetz, and Madhu Menon, "U-calculation of the LSDA+U functional using the hybrid B3LYP and HSE functionals", Physica Status Solidi B 250 , 356-363 (2013).

     

  5. Ekhard K.H. Salje, Michael A. Carpenter, Guillaurme F. Nataf, Gunnar Picht, Kyle Webber, Jeevaka Weerasinghe, S. Lisenkov, and L. Bellaiche, "Elastic excitations in BaTiO3 single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy", Physical Review B 87, 014106 (2013).

     

  6. J. E. Rault, W. Ren, S. Prosandeev, S. Lisenkov, D. Sando, S. Fusil, M. Bibes, A. Barthelemy, L. Bellaiche, and N. Barrett, "Thickness-Dependent Polarization of Strained BiFeO3 Films with Constant Tetragonality", Physical Review Letters 109, 267601 (2012).

     

  7. Antonis N. Andriotis, Ernst Richter, Sergey Lisenkov, Michael R. Sheetz, and Madhu Menon, "Electronic Structure, Optical Properties and Electronic Conductivity of Silicon Carbide Nanowires", Journal of Computational and Theoretical Nanoscience 9 , 2008 (2012).

     

  8. Chandrashekhar Pendyala, Jacek B. Jasinski, Jeong H. Kim, Venkat Kalyan Vendra, Sergey Lisenkov, Madhu Menon and Mahendra K. Sunkara, "Nanowires as semi-rigid substrates for growth of thick, InxGa1−xN (x>0.4) epi-layers without phase segregation for photoelectrochemical water splitting", Nanoscale 4 , 6269-6275 (2012).

     

  9. S. Lisenkov and I. Ponomareva, "Giant elastocaloric effect in ferroelectric Ba0.5Sr0.5TiO3 alloys from first-principles", Physical Review B 86, 104103 (2012).

     

  10. Sergey Lisenkov, Antonis N. Adriotis and Madhu Menon, "Magnetic Anisotropy and Engineering of Magnetic Behavior of the Edges in Co Embedded Graphene Nanoribbons", Physical Review Letters 108, 187208 (2012).

     

  11. I. Ponomareva and S. Lisenkov, "Bridging the Macroscopic and Atomistic Descriptions of the Electrocaloric Effect", Physical Review Letters 108, 167604 (2012).

     

  12. C. Daumont, W. Ren, I.C. Infante, S. Lisenkov, J. Allibe, C. Carretero, S. Fusil, E. Jacquet, T. Bouvet, F. Bouamrane, S. Prosandeev, G. Geneste, B. Dkhil, L. Bellaiche, A. Barthelemy and M. Bibes, "Strain dependence of polarization and piezoelectric response in epitaxial BiFeO3 thin films", Journal of Physics: Condensed Matter 24, 162202 (2012).

     

  13. S. Lisenkov, I. Ponomareva and L. Bellaiche, "Central Mode in Disordered (Ba0.5Sr0.5)TiO3 Solid Solutions from First Principles", Proceeding of 2011 DoD High Performance Computing Modernization Program Users Group Conference), 290 (2011).

     

  14. R. Michael Sheetz, Ernst Richter, Antonis N. Andriotis, Sergey Lisenkov, Chandrashekhar Pendyala, Mahendra K. Sunkara, and Madhu Menon, "Visible-light absorption and large band-gap bowing of GaN1-xSbx from first principles", Physical Review B 84, 075304 (2011).

     

  15. Wei Ren, L. Bellaiche and S. Lisenkov, "Tackling Complex Phenomena in Nanoscale Multiferroics", IEEE Computer Society (Proceeding of 2010 DoD High Performance Computing Modernization Program Users Group Conference), 259 (2011).

     

  16. Sergey Lisenkov, Antonis N. Andriotis, R. Michael Sheetz, and Madhu Menon, "Effects of codoping on the ferromagnetic enhancement in ZnO", Physical Review B 83, 235203 (2011).

     

  17. Narayani Choudhury, Laura Walizer, Sergey Lisenkov, and L. Bellaiche, "Geometric frustration in compositionally modulated ferroelectrics", Nature 470, 513 (2011).

     

  18. Antonis N. Andriotis, Sergey Lisenkovs and Madhu Menon, "Ferromagnetic interactions in hosted bipartite materials - generalized-double-exchange and generalized-superexchange interactions", Journal of Physics: Condensed Matter 23, 086004 (2011).

     

  19. T. Ostapchuk, J. Petzelt, P. Kuzel, M. Savinov, J. Hlinka, A. Tkach, P. Vilarinho, Sergey Lisenkov, I. Ponomareva and L. Bellaiche, "Lattice dynamics in Ba0.7Sr0.3TiO3: study by THz and IR spectroscopy and ab initio simulations", Phase Transitions 83, 955 (2010).

     

  20. Sergey Lisenkov, Antonis N. Andriotis and Madhu Menon, "Magnetic graphene: A new class of cages formed from graphene sheets and carbon nanotubes", Physical Review B 82, 165454 (2010).

     

  21. S. Prosandeev, S. Lisenkov, and L. Bellaiche, "Kittel Law in BiFeO3 Ultrathin Films: A First-Principles-Based Study", Physical Review Letters 105, 147603 (2010).

     

  22. I.C. Infante, S. Lisenkov, B. Dupe, M. Bibes, S. Fusil, E. Jacquet, G. Geneste, S. Petit, A. Courtial, J. Juraszek, L. Bellaiche, A. Barthelemy, and B. Dkhil, "Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO3", Physical Review Letters 105, 057601 (2010).

     

  23. B. Dupe, I.C. Infante, G. Geneste, P.-E. Janolin, M. Bibes, A. Barthelemy, S. Lisenkov, L. Bellaiche, S. Ravy, and B. Dkhil, "Competing phases in BiFeO3 thin films under compressive epitaxial strain", Physical Review B 81, 144128 (2010).

     

  24. D. Albrecht, S. Lisenkov, Wei Ren, D. Rahmedov, Igor A. Kornev and L. Bellaiche, "Ferromagnetism in multiferroic BiFeO3 films: A first-principles-based study", Physical Review B (Rapid Communication) 81 , 140401(R) (2010).

     

  25. T. Ostapchuk, J. Petzelt, J. Hlinka, V. Bovtun, P. Kuzel, I. Ponomareva, S. Lisenkov, L. Bellaiche, A. Tkach and P. Vilarinho,"Broad-band dielectric spectroscopy and ferroelectric soft-mode response in the Ba0.6Sr0.4TiO3 solid solution", Journal of Physics: Condensed Matter 21, 474215 (2009).

     

  26. S. Lisenkov, and I. Ponomareva, "Intrinsic electrocaloric effect in ferroelectric alloys from atomistic simulations", Physical Review B (Rapid Communication) 80, 140102(R) (2009).

     

  27. S. Lisenkov, D. Rahmedov and L. Bellaiche, "Electric-Field-Induced Paths in Multiferroic BiFeO3 from Atomistic Simulations", Physical Review Letters 103 , 047204 (2009).

     

  28. H. Bea, B. Dupe, S. Fusil, R. Mattana, E. Jacquet, B. Warot-Fonrose, F. Wilhelm, A. Rogalev, S. Petit, V. Cros, A. Anane, F. Petroff, K. Bouzehouane, G. Geneste, B. Dkhil, S. Lisenkov, I. Ponomareva, L. Bellaiche, M. Bibes, and A. Barthelemy, "Evidence for Room-Temperature Multiferroicity in a Compound with a Giant Axial Ratio", Physical Review Letters 102, 217603 (2009).

     

  29. S. Lisenkov, Igor A. Kornev and L. Bellaiche, "Properties of multiferroic BiFeO3 under high magnetic fields from first principles", Physical Review B 79, 012101 (2009).

     

  30. S. Lisenkov, I. Ponomareva and L. Bellaiche, "Unusual static and dynamical characteristics of domain evolution in ferroelectric superlattices", Physical Review B 79, 024101 (2009).

     

  31. R. Haumont, Igor A. Kornev, S. Lisenkov, L. Bellaiche, J. Kreisel, and B. Dkhil, "Phase stability and structural temperature dependence in powdered multiferroic BiFeO3", Physical Review B 78 , 134108 (2008).

     

  32. Igor A. Kornev, S. Lisenkov, R. Haumont, B. Dkhil and L. Bellaiche, "Finite-temperature properties of multiferroic BiFeO3", Physical Review Letters 99, 227602 (2007).

     

  33. Sergey Lisenkov and L. Bellaiche, "Phase diagrams of epitaxial BaTiO3/SrTiO3 superlattices from first principles", Physical Review B (Rapid Communication) 76, 020102(R) (2007).

     

  34. Laura Walizer, Sergey Lisenkov, and L. Bellaiche, "Finite-temperature properties of (Ba,Sr)TiO3 systems from atomistic simulations", Physical Review B 73, 144105 (2006).

     

  35. A.R. Sabirov, J. Bruening, L.A. Chernozatonskii, E.G. GalÂ’pern, S.V. Lisenkov, I.V.Stankevich, "New carbyne-fullerene-based structures: Stability and electronic characteristics", Fullerenes, nanotubes and carbon nanostructures 14, 489 (2006).

     

  36. S.V. Lisenkov, G.A. Vinogradov, T.Yu. Astakhova, and N.G. Lebedev, "Geometric structure and electronic properties of planar and nanotubular BN structures of the Haeckelite type", Physics of the Solid State 48, 192 (2006).

     

  37. Sergey Lisenkov, Antonis N. Andriotis, Inna Ponomareva, and Madhu Menon, "Transport properties of carbon nanotubes with odd-numbered carbon rings", Physical Review B 72, 113401 (2005).

     

  38. S.V. Lisenkov, G.A. Vinogradov, T.Yu. Astakhova, and N.G. Lebedev, "Nonchiral BN Haeckelite Nanotubes", JETP Letters 81, 346 (2005).

     

  39. S.V. Lisenkov, G.A. Vinogradov, and N.G. Lebedev, "New Class of Non-Carbon AlP Nanotubes: Structure and Electronic Properties", JETP Letters 81, 185 (2005).

     

  40. S.V. Lisenkov, L.A. Chernozatonskii, and I.V. Stankevich, "Ab initio study of novel crystals based on fullerene C60 and carbynes", Physics of the Solid State 46, 2317 (2004).

     

  41. S.V. Lisenkov, I.V. Ponomareva, and L.A. Chernozatonskii, "Basic Configuration of a Single-Wall Carbon Nanotube Y Junction of D3h Symmetry: Structure and Classification", Physics of the Solid State 46, 1577 (2004).

     

  42. L.A. Chernozatonskii and S.V. Lisenkov, "Classification of Three - Terminal Nanotube Junctions" , Fullerenes, nanotubes and carbon nanostructures 12, 105 (2004).