Marcelo Marques

Instituto Tecnológico de Aeronáutica — Brazil

Materials Science · Physical Sciences

23h-index2.3kcitations76works1.12yr avg
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Research Topics

Ga2O3 and related materials(17), GaN-based semiconductor devices and materials(16), Graphene research and applications(14), ZnO doping and properties(14), 2D Materials and Applications(13)

Publications76 total

Exploring the Thermodynamic Landscape of 24 Al <sub>2</sub> O <sub>3</sub> Polymorphs: Mapping Pressure–Temperature-Induced Phase Transitions Under Extreme Conditions
The Journal of Physical Chemistry C·2025Open Access
Chemical and Structural Trends on Stability and Electronic Properties of CsMX<sub>3</sub> (M = Ge, Sn, or Pb; X = F, Cl, Br, or I) Inorganic Perovskite Polymorphs Including Relativistic and Quasiparticle Effects
The Journal of Physical Chemistry C·2025· 1 citedOpen Access
ASSOCIAÇÃO ENTRE TRANSTORNOS PSIQUIÁTRICOS E DOENÇAS INFLAMATÓRIAS
2025Open Access
Phonons and thermal properties of <i>α</i>-, <i>β</i>-, <i>δ</i>-, and <i>κ</i>-Ga2O3 polymorphs from first principles studies
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films·2025· 2 cited
Electronic and Optical Properties of Highly Complex Ga <sub>2</sub> O <sub>3</sub> and In <sub>2</sub> O <sub>3</sub> Polymorphs Using Approximate Quasiparticle DFT + <i>A</i> – 1/2
The Journal of Physical Chemistry C·2025· 7 citedOpen Access
SUSTAINABLE USE OF BOILER ASH TO PURIFY BIODIESEL AND WASTE FRYING OIL: A PROPOSAL OF CIRCULAR ECONOMY
Química Nova·2025Open Access
Initiative in Quantum Networks and Their Applications at the Aeronautics Institute of Technology (ITA)
Aplicações Operacionais em Áreas de Defesa·2024Open Access
Electronic and optical properties of highly complex Ga2O3 and In2O3 polymorphs using approximate quasiparticle DFT+A−1/2
2024Open Access
Ab initio modeling of superconducting alloys
arXiv (Cornell University)·2024Open Access
Heisenberg’s uncertainty principle in the PTOLEMY project: A theory update
Physical review. D/Physical review. D.·2022· 39 citedOpen Access
DFT-1/2 method applied to 3D topological insulators
Journal of Physics Condensed Matter·2022· 6 cited
First-Principles Study of Electronic Properties of Cesium Chloride Double Perovskites Using a DFT-1/2 Approach
The Journal of Physical Chemistry C·2022· 7 cited
Accurate and Efficient Approximate Quasiparticle DFT‐1/2 Band Structure Calculations of Transition Metal Oxide Perovskites
physica status solidi (b)·2022· 2 cited
Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn<sub>1–<i>x</i></sub>Ge<sub><i>x</i></sub>I<sub>3</sub> Mixed Perovskites
The Journal of Physical Chemistry C·2021· 5 cited
DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems
Journal of Physics Condensed Matter·2021· 5 cited
Atomistic Origins of Enhanced Band Gap, Miscibility, and Oxidation Resistance in α-CsPb<sub>1–<i>x</i></sub>Sn<sub><i>x</i></sub>I<sub>3</sub> Mixed Perovskite
The Journal of Physical Chemistry C·2020· 18 cited
Electronic Structure Panorama of Halide Perovskites: Approximated DFT-1/2 Quasiparticle and Relativistic Corrections
The Journal of Physical Chemistry C·2020· 45 cited
Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction
Physical review. B./Physical review. B·2019· 46 citedOpen Access
Rigorous statistical thermodynamical model for lattice dynamics in alloys
Physical review. B./Physical review. B·2019· 3 cited
Charge qubit in van der Waals heterostructures
Physical review. B./Physical review. B·2019· 18 citedOpen Access
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Frequent Co-authors

L. K. Teles(48), F. Bechstedt(18), Ronaldo Rodrigues Pelá(13), Ivan Guilhon(13), Filipe Matusalem(9), Luiz G. Ferreira(7), C. Caetano(6), J. Furthmüller(6), Daniel Schwalbe‐Koda(6), Leonardo L. G. Ferreira(4), L. G. Ferreira(4), Fernando Valadares(3), Silvana Botti(3), Mauro C. C. Ribeiro(3), S. Martini(3), Diego Guedes‐Sobrinho(2), Felipe Lopes de Freitas(2), Bruno Lucatto(2), J. P. T. Santos(2), Giancarlo Cappellini(2)