Serge M. Nakhmanson

Serge NahkmansonSerge M. Nakhmanson
Associate Professor

Department of Materials Science & Engineering
97 North Eagleville Road, Unit 3136
Storrs, CT 06269-3136
Office: IMS-201A
Phone: 860-486-5252
Email: Web:



  • Postdoctoral Research Associate, Rutgers University, Postdoctoral advisors: K. M. Rabe and D. Vanderbilt, 2004-2006
  • Postdoctoral Research Associate, NC State University, Postdoctoral advisor: J. Bernholc, 2001-2004
  • Ph.D., Ohio University, 2001


Research Focus

  • Multifunctional ferroic materials by rational design with quantum-mechanical calculations
  • Building morphotropic phase boundaries into materials to achieve enhancement of functional properties
  • Mesoscale simulations of electroactive materials and nanostructures
  • “Soft” multifunctional materials: polymers, oligomers, molecular crystals and cocrystals



  • Honors Condensed Matter and Solid State Program stipend, Ohio University, 2000


Current Publications

L. Kuna, J. Mangeri, E. P. Gorzkowski, J. A. Wollmershauser, and S. Nakhmanson, Mesoscale modeling of polycrystalline light transmission, Acta Mater. 175, 82 (2019).

D. Zhu, J. Mangeri, R. Wang, and S. Nakhmanson, Size, shape, and orientation dependence of the field-induced behavior in ferroelectric nanoparticles, J. Appl. Phys. 125, 134102 (2019).

K. C. Pitike, N. Khakpash, J. Mangeri, G. A. Rossetti Jr., and S. M. Nakhmanson, Landau-Devonshire thermodynamic potentials for displacive perovskite ferroelectrics from first principles, J. Mater. Sci. 54, 8381 (2019).

Ghosh, D. Trujillo, H. Choi, S. Nakhmanson, S. P. Alpay, and J.-X. Zhu, Electronic and Magnetic Properties of Lanthanum and Strontium Doped Bismuth Ferrite: A First-Principles Study, Sci. Rep. 9, 194 (2019).

Ghosh, L. Louis, K. K. Arora, B. C. Hancock, J. F. Krzyzaniak, P. Meenan, S. Nakhmanson and G. P. F. Wood, Assessment of machine learning approaches for predicting the crystallization propensity of active pharmaceutical ingredients, Cryst. Eng. Comm. 21, 1215 (2019).

Kuna, J. Mangeri, P.-X. Gao, S. Nakhmanson, Stress-induced shift of band gap in ZnO nanowires from finite-element modeling, Phys. Rev. Applied 8, 034031 (2017).

F. Yuk, K. C. Pitike, S. M. Nakhmanson, M. Eisenbach, Y. W. Li, V. R. Cooper, Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects, Sci. Rep. 7, 43482 (2017).

Ghosh, T. Ahmed, D. A. Yarotski, S. M. Nakhmanson, J.-X. Zhu, Oxygen vacancy effects on double perovskite Bi2FeMnO6: A first-principles study, Europhys. Lett. 116, 57002 (2016).

Wang, K. C. Pitike, Y. Yuan, S. M. Nakhmanson, V. Gopalan, B. Jalan, Chemistry, growth kinetics, and epitaxial stabilization of Sn2+ in Sn-doped SrTiO3 using (CH3)6Sn2 tin precursor, APL Mater. 4, 126111 (2016).

Mangeri, K. C. Pitike, S. P. Alpay, S. M. Nakhmanson, Amplitudon and Phason Modes of Electrocaloric Energy Interconversion, NPJ Comp. Mater. 2, 16020 (2016).

Hong, S. M. Nakhmanson, D. D. Fong, Screening mechanisms at polar oxide heterointerfaces, Rep. Prog. Phys. 79, 076501 (2016).

M. P. Cosgriff, P. Chen, S. S. Lee, H. J. Lee, L. Kuna, K. C. Pitike, L. Louis, W. D. Parker, H. Tajiri, S. M. Nakhmanson, J. Y. Jo, Z. Chen, L. Chen, and P. G. Evans, Nanosecond Phase Transition Dynamics in Compressively Strained Epitaxial BiFeO3, Adv. Electron. Mater. 2, 1500204 (2016).

S. Chang, S. K. Selvaraj, Y.-Y. Choi, S. Hong, S. M. Nakhmanson, and C. G. Takoudis, Atomic layer deposition of environmentally benign SnTiOx as a potential ferroelectric material, J. Vac. Sci. Technol. A 34, 01A119 (2016).

Y. Li, C. Adamo, P. Chen, P. G. Evans, S. M. Nakhmanson, W. Parker, C. E. Rowland, R. D. Schaller, D. G. Schlom, D. A. Walko, H. Wen, and Q. Zhang, Giant optical enhancement of strain gradient in ferroelectric BiFeO3 thin films and its physical origin, Sci. Rep. 5, 16650 (2015); doi: 10.1038/srep16650.

F.-C. Sun, A. M. Dongare, A. D. Asandei, S. P. Alpay and S. Nakhmanson, Temperature dependent structural, elastic, and polar properties of ferroelectric polyvinylidene fluoride and trifluoroethylene copolymers, J. Mater. Chem. C 3, 8389-8396 (2015).

J. Mangeri, O. Heinonen, D. Karpeyev, and S. Nakhmanson, Influence of Elastic and Surface Strains on the Optical Properties of Semiconducting Core-Shell Nanoparticles, Phys. Rev. Applied 4, 014001 (2015).

L. Louis and S. M. Nakhmanson, Structural, vibrational, and dielectric properties of Ruddlesden-Popper Ba2ZrO4 from first principles, Phys. Rev. B 91, 134103 (2015).

K. C. Pitike, W. D. Parker, L. Louis, and S. M. Nakhmanson, First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskite SnTiO3 and PbTiO3, Phys. Rev. B 91, 035112 (2015).

J. H. Lee, G. Luo, I. C. Tung, S. H. Chang, Z. Luo, M. Malshe, M. Gadre, A. Bhattacharya, S. M. Nakhmanson, J. A. Eastman, H. Hong, J. Jellinek, D. Morgan, D. D. Fong, and J. W. Freeland, Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy, Nature Mater. 13, 879-883 (2014).

Byounghak Lee, Serge M. Nakhmanson and Olle Heinonen, Strain induced vortex-to-uniform polarization transitions in soft-ferroelectric nanoparticles, Appl. Phys. Lett. 104, 262906 (2014).

D. J. Li, S. Hong, S. Gu, Y. Choi, S. Nakhmanson, O. Heinonen, D. Karpeev and K. No, Polymer piezoelectric energy harvesters for low wind speed, Appl. Phys. Lett. 104, 012902 (2014).

Additional publications