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Electronic structure Chemical Compounds
optical properties Physics & Astronomy
electronic structure Physics & Astronomy
Electrons Engineering & Materials Science
wurtzite Physics & Astronomy
Optical properties Chemical Compounds
Band structure Chemical Compounds
electronics Physics & Astronomy

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Research Output 2006 2019

Free-electron effects on the optical absorption of the hybrid perovskite CH3NH3PbI3 from first principles

Leveillee, J. & Schleife, A., Jul 19 2019, In : Physical Review B. 100, 3, 035205.

Research output: Contribution to journalArticle

Perovskite
Light absorption
free electrons
optical absorption
Electrons

Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring

Lee, C. W. & Schleife, A., Jun 12 2019, In : Nano letters. 19, 6, p. 3939-3947 9 p.

Research output: Contribution to journalArticle

Hot electrons
hot electrons
Ion beams
ion beams
Ions

Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design

Kang, K., Kononov, A., Lee, C. W., Leveillee, J. A., Shapera, E. P., Zhang, X. & Schleife, A., Apr 1 2019, In : Computational Materials Science. 160, p. 207-216 10 p.

Research output: Contribution to journalArticle

pushing
Electronic states
Time-dependent Density Functional Theory
Accelerate
Electronics

Solid-State Divalent Ion Conduction in ZnPS3

Martinolich, A. J., Lee, C. W., Lu, I. T., Bevilacqua, S. C., Preefer, M. B., Bernardi, M., Schleife, A. & See, K. A., May 28 2019, In : Chemistry of Materials. 31, 10, p. 3652-3661 10 p.

Research output: Contribution to journalArticle

Ions
Divalent Cations
Positive ions
Insulating materials
Ionic conductivity

Strain and screening: Optical properties of a small-diameter carbon nanotube from first principles

Wagner, C., Schuster, J. & Schleife, A., Feb 20 2019, In : Physical Review B. 99, 7, 075140.

Research output: Contribution to journalArticle

Carbon Nanotubes
Carbon nanotubes
Screening
screening
Optical properties