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Masys, Š., Jonauskas, V. (2016) On the crystalline structure of orthorhombic SrRuO3: A benchmark study of DFT functionals. Computational Materials Science, 124. 78-86 doi:10.1016/j.commatsci.2016.07.019

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Reference TypeJournal (article/letter/editorial)
TitleOn the crystalline structure of orthorhombic SrRuO3: A benchmark study of DFT functionals
JournalComputational Materials Science
AuthorsMasys, Š.Author
Jonauskas, V.Author
Year2016 (November)Volume124
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2016.07.019Search in ResearchGate
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Mindat Ref. ID9509934Long-form Identifiermindat:1:5:9509934:1
GUID0
Full ReferenceMasys, Š., Jonauskas, V. (2016) On the crystalline structure of orthorhombic SrRuO3: A benchmark study of DFT functionals. Computational Materials Science, 124. 78-86 doi:10.1016/j.commatsci.2016.07.019
Plain TextMasys, Š., Jonauskas, V. (2016) On the crystalline structure of orthorhombic SrRuO3: A benchmark study of DFT functionals. Computational Materials Science, 124. 78-86 doi:10.1016/j.commatsci.2016.07.019
In(n.d.) Computational Materials Science Vol. 124. Elsevier BV

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Masys, Š., Jonauskas, V. (2015) Elastic properties of rhombohedral, cubic, and monoclinic phases of LaNiO 3 by first principles calculations. Computational Materials Science, 108. 153-159 doi:10.1016/j.commatsci.2015.06.034
Masys, Š., Jonauskas, V. (2013) A first-principles study of structural and elastic properties of bulk SrRuO3. The Journal of Chemical Physics, 139 (22). 224705pp. doi:10.1063/1.4840435
Masys, Šarūnas, Jonauskas, Valdas (2017) The crystalline structure of SrRuO3: Application of hybrid scheme to the density functionals revised for solids. Lithuanian Journal of Physics, 57 (2) doi:10.3952/physics.v57i2.3514
Grebinskij, S., Masys, Š., Mickevičius, S., Lisauskas, V., Jonauskas, V. (2013) Ab initioand photoemission study of correlation effects in SrRuO3thin films. Physical Review B, 87 (3) doi:10.1103/physrevb.87.035106
Kynienė, A., Masys, Š., Jonauskas, V. (2015) Influence of excitations to high-nlshells for the ionization process in theW26+ion. Physical Review A, 91 (6). doi:10.1103/physreva.91.062707
Jonauskas, V., Prancikevičius, A., Masys, Š., Kynienė, A. (2014) Electron-impact direct double ionization as a sequence of processes. Physical Review A, 89 (5). doi:10.1103/physreva.89.052714
Pakalka, S., Kučas, S., Masys, Š., Kynienė, A., Momkauskaitė, A., Jonauskas, V. (2018) Electron-impact single ionization of the Se3+ ion. Physical Review A, 97 (1). doi:10.1103/physreva.97.012708
Olejniczak, Adam, Cichy, Bartłomiej, Stręk, Wiesław (2019) DFT calculations of metal-organic I-III-VI semiconductor clusters: Benchmark of exchange-correlation functionals and localized basis sets. Computational Materials Science, 163. 186-195 doi:10.1016/j.commatsci.2019.03.036
Gaigalas, G, Alkauskas, A, Rynkun, P, Kisielius, R, Kynienė, A, Kučas, S, Masys, Š, Merkelis, G, Jonauskas, V (2014) Theoretical study of W25+spectra. Journal of Physics: Conference Series, 488. 62005pp. doi:10.1088/1742-6596/488/6/062005
Masys, Š., Mickevičius, S., Grebinskij, S., Jonauskas, V. (2010) Electronic structure ofLaNiO3−xthin films studied by x-ray photoelectron spectroscopy and density functional theory. Physical Review B, 82 (16) doi:10.1103/physrevb.82.165120
Qin, Guangzhao, Qin, Zhenzhen, Wang, Huimin, Hu, Ming (2018) On the diversity in the thermal transport properties of graphene: A first-principles-benchmark study testing different exchange-correlation functionals. Computational Materials Science, 151. 153-159 doi:10.1016/j.commatsci.2018.05.007
 
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