R. D. Eithiraj

TL;DR: In this article, first principles were performed to investigate the electronic structure and ground-state properties of alkali-metal sulfides using the tight-binding linear muffin-tin orbital (TB-LMTO) method.

TL;DR: In this paper, the first principles tight-binding linear muffin-tin orbital method within the local density approximation (LDA) has been used to calculate the ground-state properties, structural phase stability and pressure dependence of the band gap of NaZnX (X = P, As, Sb).

TL;DR: In this article, self-consistent scalar-relativistic band structure calculations have been performed to investigate the electronic structure and groundstate properties of alkali-metal oxides Li2O, Na2O and Rb2O in cubic antifluorite structure using the linear muffin-tin orbital in its tight-binding representation (TB-LMTO) method.

TL;DR: In this paper, the magnetic and electronic properties of WC-, MnP-, NaCl- and zinc blende (ZB)-type Mo and W based group V compounds, TMX (TM=Mo and W; X = N, P, As, Sb and Bi), using the tight-binding linear muffin-tin orbital (TB-LMTO) method, were analyzed.

TL;DR: In this article, a combined experimental and theoretical study of the local chemistry of cerium oxide films and islands on Ru(0001) is presented based on intensityvoltage low-energy electron microscopy [$I(V)$-LEEM] and resonant x-ray photoemission spectroscopy.