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
218 2011 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
97 2015 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
66 2015 Fast and accurate approximate quasiparticle band structure calculations of ZnO, CdO, and MgO polymorphs CA Ataide, RR Pelá, M Marques, LK Teles, J Furthmüller, F Bechstedt
Physical Review B 95 (4), 045126, 2017
37 2017 GaMnAs: Position of Mn-d levels and majority spin band gap predicted from GGA-1/2 calculations RR Pelá, M Marques, LG Ferreira, J Furthmüller, LK Teles
Applied Physics Letters 100 (20), 2012
32 2012 General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the B Lucatto, LVC Assali, RR Pela, M Marques, LK Teles
Physical Review B 96 (7), 075145, 2017
25 2017 Combined LDA and LDA-1/2 method to obtain defect formation energies in large silicon supercells F Matusalem, M Ribeiro, Jr, M Marques, RR Pelá, LG Ferreira, LK Teles
Physical Review B—Condensed Matter and Materials Physics 88 (22), 224102, 2013
24 2013 All-electron full-potential implementation of real-time TDDFT in exciting RR Pela, C Draxl
Electronic Structure 3 (3), 037001, 2021
20 2021 The LDA-1/2 technique: Recent developments LG Ferreira, RR Pelá, LK Teles, M Marques, M Ribeiro Jr, J Furthmüller
AIP Conference Proceedings 1566 (1), 27-28, 2013
19 2013 Digital magnetic heterostructures based on GaN using GGA-1/2 approach JPT Santos, M Marques, LG Ferreira, RR Pelá, LK Teles
Applied Physics Letters 101 (11), 2012
19 2012 Probing the LDA-1/2 method as a starting point for R Rodrigues Pela, U Werner, D Nabok, C Draxl
Physical Review B 94 (23), 235141, 2016
17 2016 Electronic and optical properties of core–shell InAlN nanorods: a comparative study via LDA, LDA-1/2, mBJ, HSE06, G 0 W 0 and BSE methods RR Pela, CL Hsiao, L Hultman, J Birch, GK Gueorguiev
Physical Chemistry Chemical Physics 26 (9), 7504-7514, 2024
16 2024 Theoretical study of the indium incorporation into III-V compounds revisited: The role of indium segregation and desorption RR Pelá, LK Teles, M Marques, S Martini
Journal of Applied Physics 113 (3), 2013
15 2013 All-out band structure and band offset ab initio predictions for AlN/GaN and AlP/GaP interfaces M Ribeiro, RR Pelá, LK Teles, LG Ferreira, M Marques
Journal of Applied Physics 114 (3), 2013
14 2013 Simulation of a spintronic transistor: A study of its performance RR Pela, LK Teles
Journal of magnetism and magnetic materials 321 (8), 984-989, 2009
13 2009 The lda-1/2 method applied to atoms and molecules R Rodrigues Pela, A Gulans, C Draxl
Journal of Chemical Theory and Computation 14 (9), 4678-4686, 2018
11 2018 Charge transition levels of Mn-doped Si calculated with the GGA-1/2 method F Matusalem, RR Pela, M Marques, LK Teles
Physical Review B 90 (22), 224102, 2014
11 2014 Critical assessment of G 0 W 0 calculations for 2D materials: the example of monolayer MoS2 R Rodrigues Pela, C Vona, S Lubeck, B Alex, I Gonzalez Oliva, C Draxl
npj Computational Materials 10 (1), 77, 2024
10 2024 The LDA-1/2 method implemented in the exciting code RR Pela, A Gulans, C Draxl
Computer Physics Communications 220, 263-268, 2017
9 2017 Spin transistors vs. conventional transistors: what are the benefits? RR Pelá, LK Teles
Journal of superconductivity and novel magnetism 23, 61-64, 2010
6 2010 
Lara Kühl TelesFull Professor at Instituto Tecnológico de Aeronáutica - ITAEmail verificata su ita.br