38 citations · 78 across the 5 of their papers we have counts for
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Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study
Alexander N. Rudenko, Swagata Acharya, Ferenc Tasnádi +5
Crystalline black nitrogen (BN) is an allotrope of nitrogen with the black phosphorus (BP) structure recently synthesized at high pressure by two independent research groups [Ji et…
Optical response and band structure of LiCoO2 including electron-hole interaction effects
Santosh Kumar Radha, Walter R. L. Lambrecht, Brian Cunningham +3
The optical response functions and band structures of LiCoO are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient a…
Electronic structure and finite temperature magnetism of yttrium iron garnet
Joseph Barker, Dimitar Pashov, Jerome Jackson
Yttrium iron garnet is a complex ferrimagnetic insulator with 20 magnon modes which is used extensively in fundamental experimental studies of magnetisation dynamics. As a transiti…
Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique
Dimitar Pashov, Swagata Acharya, Walter R. L. Lambrecht +5
This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from…
Accurate optical properties from first principles: a Quasiparticle Self consistent GW plus Bethe-Salpeter Equation approach
Brian Cunningham, Pooya Azarhoosh, Dimitar Pashov +2
We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic str…