Structural, optoelectronic, infrared and Raman spectra of orthorhombic SrSnO3 from DFT calculations

Edvan Moreira, J.M. Henriques, David L. Azevedo, +3

Journal of Solid State Chemistry

Materials ScienceRaman SpectraTransition Metal ChalcogenidesEngineeringNatural Sciences +10

Vibrational and thermodynamic properties of orthorhombic CaSnO3 from DFT and DFPT calculations

Edvan Moreira, C.A. Barboza, E.L. Albuquerque, +3

Journal of Physics and Chemistry of Solids

EngineeringPhysicsPhysicochemical AnalysisOrthorhombic Casno3Natural Sciences +7

Structural and optoelectronic properties, and infrared spectrum of cubic BaSnO3 from first principles calculations

Edvan Moreira, J.M. Henriques, David L. Azevedo, +4

Journal of Applied Physics

Optical MaterialsEngineeringCubic Boron NitrideOptical AbsorptionSolid-state Chemistry +16

Optical absorption and DFT calculations in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>L</mml:mi></mml:math>-aspartic acid anhydrous crystals: Charge carrier effective masses point to semiconducting behavior

A. M. Silva, B. P. Silva, F. A. M. Sales, +6

Physical Review B

Optical MaterialsEngineeringOptical AbsorptionAbsorption SpectroscopyComputational Chemistry +18

3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties

Samir S. Coutinho, Marcio S. Tavares, C.A. Barboza, +3

Journal of Physics and Chemistry of Solids

Materials ScienceTransition Metal ChalcogenidesEngineeringDfpt CalculationsNatural Sciences +8

Structural and electronic properties of SrxBa1−xSnO3 from first principles calculations

Edvan Moreira, J.M. Henriques, David L. Azevedo, +3

Journal of Solid State Chemistry

Materials ScienceInorganic ChemistryEngineeringOxide ElectronicsApplied Physics +6

Optoelectronic and thermodynamic properties, infrared and Raman spectra of NbO2 and Nb2O5 from DFT formalism

R.C. Carvalho, M.E.V. Mendonça, Marcio S. Tavares, +2

Journal of Physics and Chemistry of Solids

Raman SpectraTransition Metal ChalcogenidesEngineeringPhysicsOptical Properties +10

Ordering and phonons in Ba3CaNb2O9 complex perovskite

João Elias F. S. Rodrigues, Edvan Moreira, Débora Morais Bezerra, +2

Materials Research Bulletin

Materials ScienceBa3canb2o9 Complex PerovskiteEngineeringApplied PhysicsQuantum Materials +5

Prediction of electronic and optical properties of monoclinic 1T’-phase OsSe2 monolayer using DFT principles

F. M. O. Moucherek, Willian Oliveira Santos, Andréa de Lima Ferreira Novais, +2

Materials Today Communications

Materials ScienceTransition Metal ChalcogenidesDft PrinciplesOptical MaterialsEngineering +7

Structural, optoelectronic, excitonic, vibrational, and thermodynamic properties of 1T’-OsO2 monolayer via <i>ab initio</i> calculations

Willian Oliveira Santos, F. M. O. Moucherek, Alexandre C. Dias, +2

Journal of Applied Physics

Hse06 Hybrid FunctionalOptical MaterialsEngineering’ -Oso2 MonolayerOptoelectronic Devices +16