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
55 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
47 2011 Magnetic hyperfine interaction in 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
34 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
34 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
27 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
23 2001 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 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
18 2019 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 Electronic and optical properties of spodumene gemstone: A theoretical study AF De Lima, SO Souza, MV Lalic
Optical materials 30 (7), 1048-1051, 2008
16 2008 Optical absorption spectrum and electronic structure of multiferroic hexagonal YMnO3 compound AF Lima, MV Lalic
Optical Materials 64, 406-412, 2017
15 2017 