Structural, electronic, and optical properties of ZrO2 from ab initio calculations. Journal of Applied Physics JC GARCIA, LMR SCOLFARO, AT LINO, VN FREIRE, GA FARIAS, ...
Journal of Applied Physics 100, 104103, 2006
225 2006 DFT study of the electronic, vibrational, and optical properties of SnO2 PD Borges, LMR Scolfaro, HW Leite Alves, EF da Silva
Theoretical Chemistry Accounts 126, 39-44, 2010
134 2010 Theoretical study of the AlxGa1− xN alloys R De Paiva, JLA Alves, RA Nogueira, C De Oliveira, HWL Alves, ...
Materials Science and Engineering: B 93 (1-3), 2-5, 2002
48 2002 Optical absorption and electronic band structure first-principles calculations of -glycine crystals MZS FLORES, VN FREIRE, RP SANTOS, GA FARIAS, EWS CAETANO, ...
Physical Review. B, Condensed Matter and Materials Physics 77, 115104, 2008
44 2008 Boron phosphide as the buffer-layer for the epitaxial III-nitride growth: A theoretical study V FERREIRA, HW LEITE ALVES
Journal of Crystal Growth 310, 3973-3978, 2008
38 2008 Lattice dynamics of boron phosphide HWL Alves, K Kunc
Journal of Physics: Condensed Matter 4 (31), 6603, 1992
33 1992 Lattice contribution to the high dielectric constant of PbTe HW LEITE ALVES, ARR Neto, LMR SCOLFARO, TH MYERS, ...
Physical Review. B, Condensed Matter and Materials Physics 87, 115204, 2013
30 2013 Molecular signature in the photoluminescence of a-Glycine, L-Alanine and L-Asparagine crystals: Detection, ab initio calculations and biosensors applications EWS CAETANO, JR PINHEIRO, MZS FLORES, VN FREIRE, GA FARIAS, ...
AIP Conference Proceedings 772, 1097-1098, 2005
27 * 2005 Pressure-induced phase transitions and polytypic structures in III-Nitrides CC Silva, HW LEITE ALVES, LMR SCOLFARO, JR LEITE
Physica Status Solidi. C, Current Topics in Solid State Physics 2, 2468-2471, 2005
26 2005 First principles studies of point defects and impurities in cubic boron nitride JLP Castineira, JR Leite, LMR Scolfaro, R Enderlein, JLA Alves, ...
Materials Science and Engineering: B 51 (1-3), 53-57, 1998
22 1998 First-principles calculations of the effective mass parameters of Al xGa1-xN and Zn xCd1-xTe alloys R Paiva, RA Nogueira, C Oliveira, HW Alves, JLA Alves, LMR Scolfaro, ...
Brazilian journal of physics 32, 405-408, 2002
21 2002 Structural and Optoelectronic Properties of the α-, β-, and γ-Glycine Polymorphs and the Glycine Dihydrate Crystal: A DFT Study JS Rodríguez, G Costa, MB Da Silva, BP Silva, LJ Honório, ...
Crystal Growth & Design 19 (9), 5204-5217, 2019
19 2019 Ab initio calculation of the dynamical properties of PPP and PPV RL De Sousa, HW Alves
Brazilian Journal of Physics 36, 501-504, 2006
19 2006 Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys PD Borges, LMR Scolfaro, HWL Alves, EF da Silva, LVC Assali
Nanoscale research letters 7, 1-6, 2012
16 2012 Dynamical and thermodynamic properties of III-nitrides LS Pereira, AM Santos, JLA Alves, HWL Alves, JR Leite
Microelectronics journal 34 (5-8), 655-657, 2003
16 2003 Electronic and magnetic properties of SnO2 /CrO2 thin superlattices PD Borges, LMR Scolfaro, HW Leite Alves, EF da Silva, LVC Assali
Nanoscale research letters 6, 1-5, 2011
13 2011 Theoretical studies of poly (para-phenylene vinylene)(PPV) and poly (para-phenylene)(PPP) LC De Carvalho, CN Dos Santos, HWL Alves, JLA Alves
Microelectronics journal 34 (5-8), 623-625, 2003
13 2003 Electronic structure and stability of Be impurities in cubic boron nitride JLP Castineira, JR Leite, JLF Da Silva, LMR Scolfaro, JLA Alves, ...
physica status solidi (b) 210 (2), 401-405, 1998
13 1998 Thermoelectric properties of IV-VI-based heterostructures and superlattices PD BORGES, JE PETERSEN, L SCOLFARO, HW LEITE ALVES, ...
Journal of Solid State Chemistry 227, 123-131, 2015
12 2015 Lattice dynamics of boron nitride HWL Alves, JLA Alves, JLP Castineira, JR Leite
Materials Science and Engineering: B 59 (1-3), 264-267, 1999
12 1999