Our discovery of half metal ferromagnetic (HFM) properties on shandite type Co 3 Sn 2 S 2 = Sn 2 Co 3 S 2 about 20 years ago by DFT calculations opened the gate for fascinating discoveries like giant anomalous Hall effect and Weyl semimetal characteristics. Thereby, interest arose on electronic and magnetic structure effects upon substitution of M = Co and A = Sn sites in and between Co Kagomé layers. Non isoelectronic substitution to A = In or M = Ni causes a decay of magnetic properties to semiconducting diamagnetic InSnCo 3 S 2 or paramagnetic semi metal Ni 3 Sn 2 S 2 . The present study addresses simultanious substitutions on both A and M sites to novel isoelectronic compounds of Co 3 Sn 2 S 2 . Therefore, DFT calculations were performed on model structures MM' 2 AA'X 2 (M = Fe, Co, Ni; A = In, Sn, Sb; X = S). By the given approach, target compositions are identified that are interesting for future investigations and discoveries.
Human activity has an ever-increasing impact on the environment. In order to understand all processes and interactions behind this change, one has to analyze the environmental impact. Life Cycle Assessments (LCAs) are one way to achieve this, which, however, are time-consuming and often associated with high costs, as well as the requirement of specialized knowledge and software. This paper introduces a model, which allows an initial assessment. The model enables a more pragmatic way and may be considered as a first step in order to implement ecological sustainability considerations into companies. Based on a real-world problem, namely the disposal of foundry dust, the model is explained in a vivid manner.
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