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Electronic and magnetic properties of SrTiO3/LaAlO3 interfaces from first principles
Hanghui Chen, Alexie M. Kolpak, Sohrab Ismail-Beigi
A number of intriguing properties emerge upon the formation of the epitaxial interface between the insulating oxides LaAlO3 and SrTiO3. These properties, which include a quasi two-…
A First-Principles Study of the Electronic Reconstructions of LaAlO3/SrTiO3 Heterointerfaces and Their Variants
Hanghui Chen, Alexie M. Kolpak, Sohrab Ismail-Beigi
We present a first-principles study of the electronic structures and properties of ideal (atomically sharp) LaAlO3/SrTiO3 (001) heterointerfaces and their variants such as a new cl…
The correlation energy functional within the GW-RPA approximation: exact forms, approximate forms and challenges
Sohrab Ismail-Beigi
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic sys…