[HTML][HTML] Temperature-dependent properties of magnetic CuFeS2 from first-principles calculations: Structure, mechanics, and thermodynamics

R Khaledialidusti, AK Mishra, A Barnoush - AIP Advances, 2019 - pubs.aip.org
Chalcopyrite (CuFeS 2) is an antiferromagnetic semiconductor with promising magnetic and
electrical properties, although these properties are not yet completely understood. The …

First-Principles Simulations for CuInGaSe2 (CIGS) Solar Cells

YW Cheng, HT Xue, FL Tang, JL Liu - Nanostructured Materials for Next …, 2019 - Springer
In this chapter, simulations for CuInGaSe 2 (CIGS) solar cell materials are illustrated from the
viewpoint of first-principles calculations. The solar cell materials under high pressure, upon …