3 papers · 1 filter
Unveiling AlSb as a Promising Zincblende Semiconductor for Visible-Light Shift-Current Generation
César Castillo-Quevedo, Edgar Paredes-Sotelo, Peter L. Rodríguez-Kessler +2
We use density functional theory to investigate the shift-current response in zincblende III--V (AlP, AlAs, AlSb, GaP, GaAs, InP, InAs, and InSb) and II--VI (ZnS, ZnSe, ZnTe, CdS,…
Structures and stability of the Cu cluster at finite temperature
César Castillo-Quevedo, Edgar Paredes-Sotelo, Carlos Emiliano Buelna-García +12
The UV-visible and IR properties of the Cu nanocluster depend to a great extent on the temperature. Density functional theory and nanothermodynamics can be combined to compu…
Relative abundances and enantiomerization energy of the chiral Cu cluster at finite temperature
Cesar Castillo-Quevedo, Carlos Emiliano Buelna-Garcia, Edgar Paredes-Sotelo +8
This study reports the lowest energy structure of bare Cu nanoclusters as a pair of enantiomers for temperatures ranging from 20 to 1200 K. Moreover, we compute the enantiom…