Electronic structure, phase stability and chemical bonding in Th${}_2$Al and Th${}_2$AlH${}_4$

P. Vajeeston, R. Vidya, P. Ravindran +3

We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th${}_2$Al and Th${}_2$AlH${}_4$ using generalized-gradient…