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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
Articles published in Agência FAPESP Newsletter about the research grant:
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VEICULO: TITULO (DATA)
VEICULO: TITULO (DATA)

Scientific publications (27)
(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)
DA SILVA, CLAUDIO RIBEIRO; BECHSTEDT, FRIEDHELM; TELES, LARA KUHL; MARQUES, MARCELO. Electronic and Optical Properties of Highly Complex Ga2O3 and In2O3 Polymorphs Using Approximate Quasiparticle DFT plus A-1/2. Journal of Physical Chemistry C, v. 129, n. 6, p. 20-pg., . (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, . (08/11423-1, 06/05858-0)
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, . (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, . (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, . (08/11423-1, 07/06117-6, 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., . (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, . (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, . (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., . (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, . (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, . (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, . (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., . (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, . (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, . (06/05858-0)
BRIZOLLA, GUSTHAVO M. S.; CHAVES, A. J.; TELES, L. K.; GUILHON, I.; PEREIRA JUNIOR, J. M.. Electrically controlled charge qubit in van der Waals heterostructures: From ab initio calculation to tight-binding models. PHYSICAL REVIEW B, v. 109, n. 12, p. 15-pg., . (06/05858-0, 22/08086-0)
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, . (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, . (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, . (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, . (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, . (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, . (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., . (06/05858-0)
RIBEIRO DA SILVA, CLAUDIO; BECHSTEDT, FRIEDHEL; KUHL TELES, LARA; NAZARE DE FREITAS, DEBORA; MARQUES, MARCELO. Phonons and thermal properties of α-, β-, δ-, and κ-Ga2O3 polymorphs from first principles studies. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, v. 43, n. 4, p. 8-pg., . (06/05858-0, 21/13913-0)
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, . (06/05858-0)