Now showing items 1-3 of 3
On the limitations of the DFT plus U approach to energetics of actinides
(Elsevier Science BV, 2012)
Scalar-relativistic density functional theory calculations are performed on three phases of Np within the framework of LSDA+U approach. Material properties examined include lattice parameters, atomic volumes, bulk modulus, ...
Influence of the growth conditions on the optical and structural properties of self-assembled InAs/GaAs quantum dots for low As/In ratio
(Elsevier Science BV, 2017)
We report on the growth and characterization of self-assembled InAs/GaAs quantum dots (QDs). The influence of the systematically changed growth conditions on the opto-electronic and structural properties of the QDs were ...
Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications
(American Chemical Society, 2018)
Electrenes, an atomically thin form of layered electrides, are very recent members of the 2D materials family. In this work, we employed first principle calculations to determine stable, exfoliatable, and application-promising ...