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Marcelo Marques
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Approximation to density functional theory for the calculation of band gaps of semiconductors
LG Ferreira, M Marques, LK Teles
Physical Review B 78 (12), 125116, 2008
4572008
Slater half-occupation technique revisited: the LDA-1/2 and GGA-1/2 approaches for atomic ionization energies and band gaps in semiconductors
LG Ferreira, M Marques, LK Teles
Aip Advances 1 (3), 2011
2492011
Accurate band gaps of AlGaN, InGaN, and AlInN alloys calculations based on LDA-1/2 approach
RR Pelá, C Caetano, M Marques, LG Ferreira, J Furthmüller, LK Teles
Applied Physics Letters 98 (15), 2011
2022011
Stability and electronic structure of two-dimensional allotropes of group-IV materials
F Matusalem, M Marques, LK Teles, F Bechstedt
Physical Review B 92 (4), 045436, 2015
1442015
Phase stability, chemical bonds, and gap bowing of alloys: Comparison between cubic and wurtzite structures
C Caetano, LK Teles, M Marques, A Dal Pino Jr, LG Ferreira
Physical Review B 74 (4), 045215, 2006
922006
Coincidence lattices of 2D crystals: Heterostructure predictions and applications
DS Koda, F Bechstedt, M Marques, LK Teles
The Journal of Physical Chemistry C 120 (20), 10895-10908, 2016
862016
Lattice parameter and energy band gap of cubic quaternary alloys
M Marques, LK Teles, LMR Scolfaro, JR Leite, J Furthmüller, F Bechstedt
Applied physics letters 83 (5), 890-892, 2003
832003
Full-relativistic calculations of the carrier effective masses and complex dielectric function
M Marques, LK Teles, V Anjos, LMR Scolfaro, JR Leite, VN Freire, ...
Applied physics letters 82 (18), 3074-3076, 2003
772003
Comparing LDA-1/2, HSE03, HSE06 and G0W0 approaches for band gap calculations of alloys
RR Pela, M Marques, LK Teles
Journal of Physics: Condensed Matter 27 (50), 505502, 2015
762015
Tuning Electronic Properties and Band Alignments of Phosphorene Combined With MoSe2 and WSe2
DS Koda, F Bechstedt, M Marques, LK Teles
The Journal of Physical Chemistry C 121 (7), 3862-3869, 2017
652017
Trends on band alignments: Validity of Anderson's rule in - and -based van der Waals heterostructures
DS Koda, F Bechstedt, M Marques, LK Teles
Physical Review B 97 (16), 165402, 2018
592018
Influence of structure and thermodynamic stability on electronic properties of two-dimensional SiC, SiGe, and GeC alloys
I Guilhon, LK Teles, M Marques, RR Pelá, F Bechstedt
Physical Review B 92 (7), 075435, 2015
582015
Microscopic description of the phase separation process in quaternary alloys
M Marques, LK Teles, LMR Scolfaro, LG Ferreira, JR Leite
Physical Review B 70 (7), 073202, 2004
442004
Out-of-plane excitons in two-dimensional crystals
I Guilhon, M Marques, LK Teles, M Palummo, O Pulci, S Botti, F Bechstedt
Physical Review B 99 (16), 161201, 2019
402019
Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates
F Matusalem, DS Koda, F Bechstedt, M Marques, LK Teles
Scientific reports 7 (1), 15700, 2017
402017
Magnetic properties of MnN: Influence of strain and crystal structure
M Marques, LK Teles, LMR Scolfaro, J Furthmüller, F Bechstedt, ...
Applied Physics Letters 86 (16), 2005
342005
Influence of the composition fluctuations and decomposition on the tunable direct gap and oscillator strength of Ge1-xSnx alloys
FL Freitas, J Furthmüller, F Bechstedt, M Marques, LK Teles
Applied Physics Letters 108 (9), 2016
322016
Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction
F Matusalem, M Marques, LK Teles, L Matthes, J Furthmüller, F Bechstedt
Physical Review B 100 (24), 245430, 2019
312019
Statistical model applied to quaternary alloys: Bond lengths and energy gaps of (, P, or N) systems
M Marques, LK Teles, LG Ferreira, LMR Scolfaro, J Furthmüller, ...
Physical Review B 73 (23), 235205, 2006
312006
Electronic structure panorama of halide perovskites: approximated DFT-1/2 quasiparticle and relativistic corrections
F Valadares, I Guilhon, LK Teles, M Marques
The Journal of Physical Chemistry C 124 (34), 18390-18400, 2020
302020
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