Dr. Šarūnas Masys

Dr. Šarūnas Masys

Phone: +370 522 34 646

E-mail: 

Institute of Theoretical Physics and Astronomy (ITPA)

Quantum chemistry, solid-state physics, theory of atom

Senior researcher

Theoretical calculations to investigate:

• Electronic and crystalline structure of perovskite crystals

• Magnetic properties of nanodiamonds

• Various atomic characteristics of ions

ORCID: 0000-0003-0004-1104

ResearchGate: https://www.researchgate.net/profile/Sarunas-Masys

–1– Š. Masys, S. Mickevičius, S. Grebinskij, V. Jonauskas Electronic structure of LaNiO3-x thin films studied by x-ray photoelectron spectroscopy and density functional theory Phys. Rev. B 82, 165120 (2010)

–2– S. Grebinskij, Š. Masys, S. Mickevičius, V. Lisauskas, V. Jonauskas Ab initio and photoemission study of correlation effects in SrRuO3 thin films Phys. Rev. B 87, 035106 (2013)

–3– Š. Masys, V. Jonauskas A first-principles study of structural and elastic properties of bulk SrRuO3 J. Chem. Phys. 139, 224705 (2013)

–4– Š. Masys, V. Jonauskas Elastic properties of rhombohedral, cubic, and monoclinic phases of LaNiO3 by first principles calculations Comput. Mater. Sci. 108, 153 (2015)

–5– Š. Masys, V. Jonauskas The crystalline structure of tensile strained SrRuO3: A first-principles investigation Cryst. Growth Des. 18, 3397 (2018)

–6– A. Kynienė, S. Kučas, Š. Masys, V. Jonauskas Electron-impact ionization of Fe8+ Astron. Astrophys. 624, A14 (2019)

–7– Š. Masys, Z. Rinkevicius, J. Tamulienė On the magnetic properties of nanodiamonds: Electronic g-tensor calculations J. Chem. Phys. 151, 044305 (2019)

–8– Š. Masys, Z. Rinkevicius, J. Tamulienė Computational study on the electronic g-tensors of hydrophilic and hydrophobic nanodiamonds interacting with water J. Chem. Phys. 152, 144302 (2020)

–9– Š. Masys, V. Jonauskas, Z. Rinkevicius Electronic g-tensor calculations for dangling bonds in nanodiamonds J. Phys. Chem. A 125, 8249 (2021)

–10– S. Kučas, A. Kynienė, Š. Masys, V. Jonauskas Multiple photoionization for the 2p subshell in the iron atom Mon. Not. R. Astron. Soc. 514, 1879 (2022)

• World Federation of Scientists National Scholarship under topic Planetary Emergency – Energy (2009-2010)

• Research Council of Lithuania Doctoral Scholarship for the Academic Achievements in the Field of Natural Sciences (2011-2013)

• Vilnius University Rector’s Award for the Scientific Achievements (2019)

https://web.vu.lt/tfai/s.masys/