Publikacijos | Publications

 

Web of Science straipsniai | Web of Science papers

–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–

V. Jonauskas, Š. Masys, A. Kynienė, G. Gaigalas

Cascade emission in electron beam ion trap plasma

J. Quant. Spectrosc. Radiat. Transfer 127, 64 (2013) @

 

–4–

V. Jonauskas, R. Kisielius, Š. Masys, A. Kynienė

Analogues of relativistic integrals: Their application in R-matrix method for highly charged tungsten ions

Lith. J. Phys. 53, 144 (2013) @

 

–5–

Š. Masys, V. Jonauskas, S. Grebinskij, S. Mickevičius, V. Pakštas, M. Senulis

Theoretical and experimental study of non-stoichiometric SrRuO3: A role of oxygen vacancies in electron correlation effects

Lith. J. Phys. 53, 150 (2013) @

 

–6–

Š. Masys, V. Jonauskas

A first-principles study of structural and elastic properties of bulk SrRuO3

J. Chem. Phys. 139, 224705 (2013) @

 

–7–

A. Alkauskas, P. Rynkun, G. Gaigalas, A. Kynienė, R. Kisielius, S. Kučas, Š. Masys, G. Merkelis, V. Jonauskas

Theoretical investigation of spectroscopic properties of W25+

J. Quant. Spectrosc. Radiat. Transfer 136, 108 (2014) @

 

–8–

V. Jonauskas, A. Prancikevičius, Š. Masys, A. Kynienė

Electron-impact direct double ionization as a sequence of processes

Phys. Rev. A 89, 052714 (2014) @

 

–9–

V. Jonauskas, A. Kynienė, G. Merkelis, G. Gaigalas, R. Kisielius, S. Kučas, Š. Masys, L. Radžiūtė, P. Rynkun

Contribution of high-nl shells to electron-impact ionization processes

Phys. Rev. A 91, 012715 (2015) @

 

–10–

V. Jonauskas, T. Pütterich, S. Kučas, Š. Masys, A. Kynienė, G. Gaigalas, R. Kisielius, L. Radžiūtė, P. Rynkun, G. Merkelis

Cascade emission in electron beam ion trap plasma of W25+ ion

J. Quant. Spectrosc. Radiat. Transfer 160, 22 (2015) @

 

–11–

V. Jonauskas, A. Kynienė, P. Rynkun, S. Kučas, G. Gaigalas, R. Kisielius, Š. Masys, G. Merkelis, L. Radžiūtė

Theoretical investigation of spectroscopic properties of W26+ in EBIT plasma

J. Phys. B: At. Mol. Opt. Phys. 48, 135003 (2015) @

 

–12–

A. Kynienė, Š. Masys, V. Jonauskas

Influence of excitations to high-nl shells for the ionization process in the W26+ ion

Phys. Rev. A 91, 062707 (2015) @

 

–13–

Š. Masys, V. Jonauskas

Elastic properties of rhombohedral, cubic, and monoclinic phases of LaNiO3 by first principles calculations

Comput. Mater. Sci. 108, 153 (2015) @

 

–14–

Š. Masys, V. Jonauskas

On the crystalline structure of orthorhombic SrRuO3: A benchmark study of DFT functionals

Comput. Mater. Sci. 124, 78 (2016) @

 

–15–

A. Kynienė, S. Pakalka, Š. Masys, V. Jonauskas

Electron-impact ionization of W25+

J. Phys. B: At. Mol. Opt. Phys. 49, 185001 (2016) @

 

–16–

Š. Masys, V. Jonauskas

The crystalline structure of SrRuO3: Application of hybrid scheme to the density functionals revised for solids

Lith. J. Phys. 57, 78 (2017) @

 

–17–

J. Koncevičiūtė, S. Kučas, Š. Masys, A. Kynienė, V. Jonauskas

Electron-impact triple ionization of Se2+

Phys. Rev. A 97, 012705 (2018) @

 

–18–

S. Pakalka, S. Kučas, Š. Masys, A. Kynienė, A. Momkauskaitė, V. Jonauskas

Electron-impact single ionization of the Se3+ ion

Phys. Rev. A 97, 012708 (2018) @

 

–19–

Š. Masys, V. Jonauskas

The crystalline structure of tensile strained SrRuO3: A first-principles investigation

Cryst. Growth Des. 18, 3397 (2018) @

 

–20–

A. Kynienė, G. Merkelis, A. Šukys, Š. Masys, S. Pakalka, R. Kisielius, V. Jonauskas

Maxwellian rate coefficients for electron-impact ionization of W26+

J. Phys. B: At. Mol. Opt. Phys. 51, 155202 (2018) @

 

–21–

J. Koncevičiūtė, S. Kučas, A. Kynienė, Š. Masys, V. Jonauskas

Electron-impact double and triple ionization of Se3+

J. Phys. B: At. Mol. Opt. Phys. 52, 025203 (2019) @

 

–22–

V. Jonauskas, Š. Masys

Double- and triple-Auger processes in C1+

J. Quant. Spectrosc. Radiat. Transfer 229, 11 (2019) @

 

–23–

A. Kynienė, S. Kučas, Š. Masys, V. Jonauskas

Electron-impact ionization of Fe8+

Astron. Astrophys. 624, A14 (2019) @

 

–24–

Š. Masys, Z. Rinkevicius, J. Tamulienė

On the magnetic properties of nanodiamonds: Electronic g-tensor calculations

J. Chem. Phys. 151, 044305 (2019) @

 

–25–

Š. Masys, Z. Rinkevicius, J. Tamulienė

Electronic g-tensors of nanodiamonds: Dependence on the size, shape, and surface functionalization

J. Chem. Phys. 151, 144305 (2019) @

 

–26–

S. Kučas, P. Drabužinskis, A. Kynienė, Š. Masys, V. Jonauskas

Evolution of radiative and Auger cascades following 2s vacancy creation in Fe2+

J. Phys. B: At. Mol. Opt. Phys. 52, 225001 (2019) @

 

–27–

A. Kynienė, S. Kučas, S. Pakalka, Š. Masys, V. Jonauskas

Electron-impact single ionization of Fe3+ from the ground and metastable states

Phys. Rev. A 100, 052705 (2019) @

 

–28–

V. Jonauskas, A. Kynienė, S. Kučas, S. Pakalka, Š. Masys, A. Prancikevičius, A. Borovik, Jr., M. F. Gharaibeh, S. Schippers, A. Müller

Electron-impact ionization of W5+

Phys. Rev. A 100, 062701 (2019) @

 

–29–

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) @

 

–30–

S. Kučas, A. Kynienė, Š. Masys, V. Jonauskas

Multiple photoionization cross sections for Fe2+ K shell

Astron. Astrophys. 643, A46 (2020) @

 

–31–

Š. Masys, V. Jonauskas, Z. Rinkevicius

Electronic g-tensor calculations for dangling bonds in nanodiamonds

J. Phys. Chem. A 125, 8249 (2021) @

 

–32–

A. Kynienė, S. Kučas, Š. Masys, V. Jonauskas

Electron-impact ionization for the levels of Fe3+

At. Data Nucl. Data Tables 142, 101445 (2021) @

 

–33–

S. Kučas, A. Kynienė, Š. Masys, V. Jonauskas

Multiple photoionization for the K shell in the Fe atom

Astron. Astrophys. 654, A74 (2021) @

 

–34–

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) @

 

–35–

S. Kučas, A. Momkauskaitė, A. Kynienė, Š. Masys, V. Jonauskas

Evaluation of radiative and Auger electron emission following K-shell vacancy creation in iodine

J. Quant. Spectrosc. Radiat. Transfer 288, 108249 (2022) @

 

–36–

S. Kučas, A. Kynienė, Š. Masys, V. Jonauskas

Multiple photoionization for the 2s subshell in the iron atom

Mon. Not. R. Astron. Soc. 516, 3113 (2022) @

 

–37–

Š. Masys, V. Jonauskas, Z. Rinkevicius

Geometries of defects in nanodiamonds optimized with the low-cost methods: How good are they for the electronic g-tensor calculations?

Diam. Relat. Mater. 136, 110009 (2023) @

 

Web of Science konferencijų darbai | Web of Science proceedings

–1–

Š. Masys, V. Jonauskas, S. Mickevičius, S. Grebinskij

Electronic structure of LaNiO3-x thin films: X-ray photoelectron spectroscopy and theoretical study

Radiation Interaction with Material and Its Use in Technologies 2010: 3rd International Conference, Kaunas, Lithuania, 20–23 September 2010. Book Series: Radiation Interaction with Material and Its Use in Technologies, p. 129–132.

 

–2–

Š. Masys, V. Jonauskas, E. Baškys, S. Mickevičius, S. Grebinskij

Experimental and ab initio study on valence-band structure of SrRuO3

Radiation Interaction with Material and Its Use in Technologies 2012: 4th International Conference, Kaunas, Lithuania, 14–17 May 2012. Book Series: Radiation Interaction with Material and Its Use in Technologies, p. 593–596.

 

–3–

V. Jonauskas, A. Kynienė, R. Kisielius, Š. Masys

Theoretical study of W20+ spectra formation in EBIT plasma

J. Phys.: Conf. Ser. 388, 042016 (2012) @

 

–4–

V. Jonauskas, Š. Masys, E. Bučius

Theoretical study of lines from W13+ spectra

J. Phys.: Conf. Ser. 388, 062012 (2012) @

 

–5–

G. Gaigalas, A. Alkauskas, P. Rynkun, R. Kisielius, A. Kynienė, S. Kučas, Š. Masys, G. Merkelis, V. Jonauskas

Theoretical study of W25+ spectra

J. Phys.: Conf. Ser. 488, 062005 (2014) @

 

–6–

V. Jonauskas, A. Kynienė, Š. Masys

Electron-impact ionization of W26+ ion

J. Phys.: Conf. Ser. 635, 052058 (2015) @

 

–7–

V. Jonauskas, A. Kynienė, P. Rynkun, L. Radžiūtė, G. Gaigalas, R. Kisielius, S. Kučas, Š. Masys, G. Merkelis

Theoretical investigation of spectroscopic properties of W27+ ion

J. Phys.: Conf. Ser. 635, 052059 (2015) @

 

–8–

V. Jonauskas, A. Kynienė, Š. Masys, R. Kisielius, S. Kučas, P. Rynkun, L. Radžiūtė, G. Gaigalas, G. Merkelis

Theoretical study of W27+ spectra in EBIT plasma

J. Phys.: Conf. Ser. 635, 052090 (2015) @

 

–9–

A. Kynienė, S. Kučas, Š. Masys, S. Pakalka, V. Jonauskas

Electron-impact ionization of Fe3+

J. Phys.: Conf. Ser. 1412, 152053 (2020) @

 

–10–

V. Jonauskas, S. Kučas, Š. Masys, J. Koncevičiūtė

Cascade of elementary processes in Se1+

J. Phys.: Conf. Ser. 1412, 152058 (2020) @

 

Kitos konferencijų ir vasaros mokyklų tezės (pristatytos asmeniškai) | Other conference and summer school theses (presented personally)

–1–

Š. Masys, V. Jonauskas, S. Mickevičius

LaNiO3 kristalų elektroninės sandaros teorinis tyrimas tankio funkcionalo metodu [Theoretical investigation of LaNiO3 crystals electronic structure using density functional theory approach]

38–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2009 m. birželio 8–10 d. [38th Lithuanian National Physics Conference, Vilnius, Lithuania, 8–10 June 2009]

 

–2–

Š. Masys, S. Mickevičius, S. Grebinskij, V. Jonauskas

Electronic structure of semi-core states in BiFeO3 thin films: An experimental and ab initio study

43rd Conference of the European Group for Atomic Systems (EGAS), Fribourg, Switzerland, 28 June – 2 July 2011

 

–3–

Š. Masys, V. Jonauskas, S. Mickevičius, S. Grebinskij

Plonųjų BiFeO3 plėvelių pusiau kamieninių elektroninių būsenų eksperimentinis ir teorinis tyrimas [Experimental and theoretical investigation of semi-core states in BiFeO3 thin films]

39–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2011 m. spalio 6–8 d. [39th Lithuanian National Physics Conference, Vilnius, Lithuania, 6–8 October 2011]

 

–4–

Š. Masys, V. Jonauskas

Elastic properties of perovskite SrRuO3: An employment of revised density functional for solids

Solid State Chemistry 2012: 10th International Conference, Pardubice, Czech Republic, 10–14 June 2012

 

–5–

Š. Masys, V. Jonauskas

An employment of revised density functional for solids: Case of SrRuO3

Ab initio Modelling in Solid State Chemistry 2012: International Summer School, London, United Kingdom, 17–21 September 2012

 

–6–

Š. Masys, V. Jonauskas

Ortorombinės SrRuO3 fazės elastinės savybės [On elastic properties of orthorhombic phase of SrRuO3]

40–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2013 m. birželio 10–12 d. [40th Lithuanian National Physics Conference, Vilnius, Lithuania, 10–12 June 2013]

 

–7–

Š. Masys, V. Jonauskas

PBE šeimos tankio funkcionalų taikymas SrRuO3 kristalinės sandaros tyrimui [Application of density functionals from PBE family for the study of the crystalline structure of SrRuO3]

41–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2015 m. birželio 17–19 d. [41st Lithuanian National Physics Conference, Vilnius, Lithuania, 17–19 June 2015]

 

–8–

Š. Masys, V. Jonauskas

Elastic properties of LaNiO3: An employment of PBE-based functionals

15th European Conference on Solid State Chemistry, Vienna, Austria, 23–26 August 2015

 

–9–

Š. Masys, V. Jonauskas

On the identification of processes that impact the electronic structure of SrRuO3

Advanced Materials and Technologies 2015: 17th International Conference-School, Palanga, Lithuania, 27–31 August 2015

 

–10–

Š. Masys, V. Jonauskas

The crystalline structure of orthorhombic SrRuO3: Application of hybrid density functionals

Solid State Chemistry 2016: 12th International Conference, Prague, Czech Republic, 18–23 September 2016

 

–11–

Š. Masys, V. Jonauskas

Deformuotų SrRuO3 plonųjų plėvelių modeliavimas taikant tankio funkcionalo teoriją [Modelling of strained SrRuO3 thin films within density functional theory framework]

42–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2017 m. spalio 4–6 d. [42nd Lithuanian National Physics Conference, Vilnius, Lithuania, 4–6 October 2017]

 

–12–

Š. Masys, J. Tamulienė

Electronic g-tensors of nanodiamonds: A first-principles investigation

Hasselt Diamond Workshop 2019 – SBDD XXIV, Hasselt, Belgium, 13–15 March 2019

 

–13–

Š. Masys, J. Tamulienė

Computational study on the electronic g-tensors of nanodiamonds

Carbon 2019, Lexington, United States of America, 14–19 July 2019

 

–14–

Š. Masys, J. Tamulienė

A first-principles investigation of electronic g-tensors in functionalized nanodiamonds

30th International Conference on Diamond and Carbon Materials, Seville, Spain, 8–12 September 2019

 

–15–

Š. Masys, J. Tamulienė

Vandens įtaka nanodeimantų magnetinėms savybėms: teorinis tyrimas [A theoretical study on how water influences magnetic properties of nanodiamonds]

43–oji Lietuvos nacionalinė fizikos konferencija, Kaunas, 2019 m. spalio 3–5 d. [43rd Lithuanian National Physics Conference, Kaunas, Lithuania, 3–5 October 2019]

 

–16–

Š. Masys, V. Jonauskas, Ž. Rinkevičius

Nekompensuotųjų ryšių modeliavimas funkcionalizuotuose nanodeimantuose [Modeling of dangling bonds in functionalized nanodiamonds]

44–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2021 m. spalio 6–8 d. [44th Lithuanian National Physics Conference, Vilnius, Lithuania, 6–8 October 2021]

 

–17–

Š. Masys, V. Jonauskas

Electronic g-tensor dependence on the size of nanodiamonds: A test for geometries obtained with GFN2-xTB method

ECAMP14: 14th European Conference on Atoms, Molecules, and Photons, Vilnius, Lithuania, 27 June – 1 July 2022

 

–18–

Š. Masys, V. Jonauskas

The surfaces of nanodiamonds: A modeling perspective

Chemistry and Chemical Technology 2023, Vilnius, Lithuania, 10 March 2023

 

–19–

Š. Masys, V. Jonauskas, Ž. Rinkevičius

Nanodeimantų paramagnetinių defektų geometrijos optimizavimas taikant sparčiuosius metodus [On the geometry optimization of paramagnetic defects in nanodiamonds applying the fast methods]

45–oji Lietuvos nacionalinė fizikos konferencija, Vilnius, 2023 m. spalio 25–27 d. [45th Lithuanian National Physics Conference, Vilnius, Lithuania, 25–27 October 2023]

 

|  Atnaujinta: 2023-10-30 10:38
2013-11-08 15:22

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