| Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate MV Lalić, ZS Popović, FR Vukajlović Computational Materials Science 50 (3), 1179-1186, 2011 | 58 | 2011 |
| The first-principles study of electronic and optical properties of BGO and BSO scintillators MV Lalic, SO Souza Optical Materials 30 (7), 1189-1192, 2008 | 56 | 2008 |
| Structural, electronic, optical, and magneto-optical properties of Bi12MO20 (M= Ti, Ge, Si) sillenite crystals from first principles calculations AF Lima, SAS Farias, MV Lalic Journal of applied physics 110 (8), 2011 | 48 | 2011 |
| Magnetic hyperfine interaction in and measured by perturbed angular correlation spectroscopy AW Carbonari, J Mestnik-Filho, RN Saxena, MV Lalić Physical Review B 69 (14), 144425, 2004 | 45 | 2004 |
| Influence of Cd impurity on the electronic properties of CuAlO2 delafossite: first-principles calculations MV Lalic, J Mestnik-Filho, AW Carbonari, RN Saxena, M Moralles Journal of Physics: Condensed Matter 14 (22), 5517, 2002 | 40 | 2002 |
| Electronic structure and optical absorption of the Bi4Ge3O12 and the Bi4Si3O12 scintillators in ultraviolet region: An ab initio study AF Lima, SO Souza, MV Lalić Journal of Applied Physics 106 (1), 2009 | 37 | 2009 |
| Antisite defect as rule for photorefractive, photochromic and photocatalytic properties of Bi12MO20 (M= Ge, Si, Ti) sillenite crystals TM Oliveira, C Santos, AF Lima, MV Lalic Journal of Alloys and Compounds 720, 187-195, 2017 | 36 | 2017 |
| An ab-initio study of electronic and optical properties of corundum Al2O3 doped with Sc, Y, Zr, and Nb AF Lima, JM Dantas, MV Lalic Journal of Applied Physics 112 (9), 2012 | 35 | 2012 |
| Changes induced by the presence of Zn or Ni impurity at Cu sites in CuAlO2 delafossite MV Lalić, J Mestnik-Filho, AW Carbonari, RN Saxena Solid state communications 125 (3-4), 175-178, 2003 | 29 | 2003 |
| Electronic structure and optical properties of magnesium tetraborate: An ab initio study TM Oliveira, AF Lima, MG Brik, SO Souza, MV Lalic Computational Materials Science 124, 1-7, 2016 | 28 | 2016 |
| Electronic structure and optical properties of CuWO4: An ab initio study MV Lalić, ZS Popović, FR Vukajlović Computational materials science 63, 163-167, 2012 | 27 | 2012 |
| Structural, bonding, and electronic properties of the hexagonal ferroelectric and paraelectric phases of LuMnO3 compound: A density functional theory study AM Sousa, WS Coutinho, AF Lima, MV Lalic The Journal of Chemical Physics 142 (7), 2015 | 24 | 2015 |
| First-principles calculations of hyperfine fields in the CeIn 3 intermetallic compound MV Lalić, J Mestnik-Filho, AW Carbonari, RN Saxena, H Haas Physical Review B 65 (5), 054405, 2001 | 24 | 2001 |
| Theoretical study of electronic and optical properties of the scheelite MWO4 (M= Ca, Sr or Ba) compounds by applying the modified Becke-Johnson exchange-correlation potential IP Carvalho, AF Lima, MV Lalic Optical Materials 92, 187-194, 2019 | 23 | 2019 |
| An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3 AS Milošević, MV Lalić, ZS Popović, FR Vukajlović Optical Materials 35 (10), 1765-1771, 2013 | 19 | 2013 |
| Ground-state magnetic structure of hexagonal YMnO3 compound: A non-collinear spin density functional theory study AF Lima, MV Lalic Journal of Magnetism and Magnetic Materials 416, 236-240, 2016 | 17 | 2016 |
| Analysis of the Mn–O and Y–O bonds in paraelectric and ferroelectric phase of magnetoelectric YMnO3 from the first principles calculations W Sotero, AF Lima, MV Lalic Journal of Alloys and Compounds 649, 285-290, 2015 | 16 | 2015 |
| Electronic structure and optical properties of lithium tetraborate detector calculated using semi-local exchange correlation potential C Santos, AF Lima, MV Lalic Computational materials science 95, 271-275, 2014 | 16 | 2014 |
| First-principles study of the BiMO4 antisite defect in the Bi12MO20 (M= Si, Ge, Ti) sillenite compounds AF Lima, MV Lalic Journal of Physics: Condensed Matter 25 (49), 495505, 2013 | 16 | 2013 |
| Ab initio study of structural, electronic and optical properties of the Bi12TiO20 sillenite crystal AF Lima, MV Lalic Computational materials science 49 (2), 321-325, 2010 | 16 | 2010 |
