Theoretical study of semiconductor alloys for applications in spintronics and optoelectronics

• Grant number: 06/05858-0
• Support Opportunities: Research Grants - Young Investigators Grants
• Start date: March 01, 2007
• End date: February 29, 2012
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Lara Kühl Teles
• Grantee: Lara Kühl Teles
• Host Institution: Divisão de Ciências Fundamentais (IEF). Instituto Tecnológico de Aeronáutica (ITA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil
• Associated researchers: Marcelo Marques
• Associated research grant(s): 11/10799-0 - LDA-1/2 method applied for obtaining semiconductors and nanocompounds properties, AV.EXT
• Associated scholarship(s): 08/11423-1 - Simulation of quantum devices based on spin, BP.DD; 07/06117-6 - Simulation of quantum devices based on spin, BP.MS

Scientific publications

(24)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

CAETANO, CLOVIS; TELES, LARA KUEHL; MARQUES, MARCELO; FERREIRA, LUIZ G.. Biaxial strain-induced suppression of spinodal decomposition in GaMnAs and GaCrAs. Journal of Applied Physics, v. 107, n. 12, JUN 15 2010. (06/05858-0)

CAETANO, CLOVIS; GUILHON, IVAN; CAPPELLINI, GIANCARLO; MARQUES, MARCELO; TELES, LARA K.. First-Principles Study of Electronic Properties of Cesium Chloride Double Perovskites Using a DFT-1/2 Approach. Journal of Physical Chemistry C, v. 126, n. 36, p. 7-pg., 2022-09-02. (06/05858-0)

CAETANO, C.; PELA, R. R.; MARTINI, S.; MARQUES, M.; TELES, L. K.. Ab initio predictions of the stability and structural properties of zincblende (III,TM)V magnetic semiconductor alloys. Journal of Magnetism and Magnetic Materials, v. 405, p. 274-281, MAY 1 2016. (06/05858-0)

PELA, R. R.; CAETANO, C.; MARQUES, M.; FERREIRA, L. G.; FURTHMUELLER, J.; TELES, L. K.. Accurate band gaps of AlGaN, InGaN, and AlInN alloys calculations based on LDA-1/2 approach. Applied Physics Letters, v. 98, n. 15, APR 11 2011. (08/11423-1, 06/05858-0)

PELA, R. R.; TELES, L. K.; MARQUES, M.; MARTINI, S.. Theoretical study of the indium incorporation into III-V compounds revisited: The role of indium segregation and desorption. Journal of Applied Physics, v. 113, n. 3, JAN 21 2013. (08/11423-1, 07/06117-6, 06/05858-0)

RIBEIRO, JR., M.; FERREIRA, L. G.; FONSECA, L. R. C.; RAMPRASAD, R.. CdSe/CdTe interface band gaps and band offsets calculated using spin-orbit and self-energy corrections. MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, v. 177, n. 16, p. 1460-1464, SEP 20 2012. (06/05858-0)

FERREIRA, LUIZ G.; MARQUES, MARCELO; TELES, LARA K.. Approximation to density functional theory for the calculation of band gaps of semiconductors. Physical Review B, v. 78, n. 12, p. 125116, 2008. (06/05858-0)

PELÁ‚ RR; TELES‚ LK. Spin Transistors vs. Conventional Transistors: What Are the Benefits?. Journal of Superconductivity and Novel Magnetism, v. 23, n. 1, p. 61-64, 2010. (06/05858-0)

PELÁ‚ RR; CAETANO‚ C.; MARQUES‚ M.; FERREIRA‚ LG; FURTHMULLER‚ J.; TELES‚ LK. Accurate band gaps of AlGaN‚ InGaN‚ and AlInN alloys calculations based on LDA-1/2 approach. Applied Physics Letters, v. 98, n. 15, p. 151907-151907, 2011. (08/11423-1, 06/05858-0)

PELA, R. R.; MARQUES, M.; FERREIRA, L. G.; FURTHMUELLER, J.; TELES, L. K.. GaMnAs: Position of Mn-d levels and majority spin band gap predicted from GGA-1/2 calculations. Applied Physics Letters, v. 100, n. 20, p. 202408-202408, 2012. (08/11423-1, 06/05858-0)

CAETANO, CLOVIS; MARQUES, MARCELO; FERREIRA, LUIZ G.; TELES, LARA K.. Anomalous lattice parameter of magnetic semiconductor alloys. Applied Physics Letters, v. 94, n. 24, p. 241914-241914, 2009. (06/05858-0)

SANTOS, A. M.; ALVES, H. W. L.; ATAIDE, C. A.; GUILHON, I; MARQUES, M.; TELES, L. K.. Rigorous statistical thermodynamical model for lattice dynamics in alloys. PHYSICAL REVIEW B, v. 100, n. 14, p. 9-pg., 2019-10-30. (06/05858-0)

FERREIRA, LUIZ G.; MARQUES, MARCELO; TELES, LARA K.. Approximation to density functional theory for the calculation of band gaps of semiconductors. PHYSICAL REVIEW B, v. 78, n. 12, p. 9-pg., 2008-09-01. (06/05858-0)

SANTOS, A. M.; ALVES, H. W. L.; ATAIDE, C. A.; GUILHON, I; MARQUES, M.; TELES, L. K.. Rigorous statistical thermodynamical model for lattice dynamics in alloys. Physical Review B, v. 100, n. 14, OCT 30 2019. (06/05858-0)

GUEDES-SOBRINHO, DIEGO; GUILHON, IVAN; MARQUES, MARCELO; TELES, LARA K.. Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites. Journal of Physical Chemistry Letters, v. 10, n. 15, p. 4245-4251, AUG 1 2019. (06/05858-0)

GUEDES-SOBRINHO, DIEGO; GUILHON, IVAN; MARQUES, MARCELO; TELES, LARA K.. Thermodynamic Stability and Structural Insights for CH3NH3Pb1-xSixI3, CH3NH3Pb1-xGexI3, and CH3NH3Pb1-xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations. SCIENTIFIC REPORTS, v. 9, JUL 30 2019. (06/05858-0)

VALADARES, FERNANDO; GUDHON, IVAN; TELES, LARA K.; MARQUES, MARCELO. Electronic Structure Panorama of Halide Perovskites: Approximated DFT-1/2 Quasiparticle and Relativistic Corrections. Journal of Physical Chemistry C, v. 124, n. 34, p. 18390-18400, AUG 27 2020. (06/05858-0)

VALADARES, FERNANDO; GUILHON, IVAN; TELES, LARA K.; MARQUES, MARCELO. Atomistic Origins of Enhanced Band Gap, Miscibility, and Oxidation Resistance in alpha-CsPb1-xSnxI3 Mixed Perovskite. Journal of Physical Chemistry C, v. 124, n. 48, p. 26124-26133, DEC 3 2020. (06/05858-0)

YAGUI, LUCAS; GUILHON, IVAN; MARQUES, MARCELO; TELES, LARA K.. Accurate and Efficient Approximate Quasiparticle DFT-1/2 Band Structure Calculations of Transition Metal Oxide Perovskites. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, v. 259, n. 6, p. 9-pg., 2022-04-15. (06/05858-0)

RIBEIRO, JR., M.; FONSECA, L. R. C.; SADOWSKI, T.; RAMPRASAD, R.. Ab initio calculation of the CdSe/CdTe heterojunction band offset using the local-density approximation-1/2 technique with spin-orbit corrections. Journal of Applied Physics, v. 111, n. 7, APR 1 2012. (06/05858-0)

RIBEIRO, JR., M.; FONSECA, L. R. C.; FERREIRA, L. G.. First-principles calculation of the AlAs/GaAs interface band structure using a self-energy-corrected local density approximation. EPL, v. 94, n. 2, APR 2011. (06/05858-0)

PELA, R. R.; TELES, L. K.. Simulation of a spintronic transistor: A study of its performance. Journal of Magnetism and Magnetic Materials, v. 321, n. 8, p. 984-989, APR 2009. (06/05858-0)

MATUSALEM, FILIPE; MARQUES, MARCELO; GUILHON, IVAN; TELES, LARA K.. Efficient calculation of excitonic effects in solids including approximated quasiparticle energies. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 32, n. 40, SEP 23 2020. (06/05858-0)

VALADARES, FERNANDO; GUILHON, IVAN; TELES, LARA K.; MARQUES, MARCELO. Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn1-xGexI3 Mixed Perovskites. Journal of Physical Chemistry C, v. 125, n. 39, p. 21740-21747, OCT 7 2021. (06/05858-0)