Two predictions of electronic structure calculations: the generation of 2DEG at BaBiO3 surfaces and the nesting driven SDW of NbS2 nanoribbons

V. L. VILDOSOLA

Buenos Aires

Workshop; International Workshop, Towards Designing Materials: Theoretical Advances and Experimental Challenges; 2014

In this talk we will describe two predictions of electronic structure calculations based on the Density Functional Theory: the generation of 2DEG at the (001) surface of the charge-ordered BaBiO3 Peierls-like semiconductor  and the emergence of Spin density waves in nanoribbons of transition metal  dichalcogenides such as  NbS2.