Detection of SF6 decomposition components by pristine and Cr-doped GaN based on the first-principles theory
Sign Up to like & getrecommendations! Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113431
Abstract: Abstract In this work, the first-principles theory is used to simulate the adsorption behavior of four SF6 characteristic decomposed gases on the pristine and Cr-doped GaN (Cr-GaN). The feasibility of the GaN for application as… read more here.
Keywords: principles theory; first principles; sf6; adsorption ... See more keywords
Relativistic first-principles theory of Yu-Shiba-Rusinov states applied to Mn adatoms and Mn dimers on Nb(110)
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.104.235426
Abstract: Bendegúz Nyári1, András Lászlóffy1,2, László Szunyogh1,3, Gábor Csire2,4, Kyungwha Park5, and Balázs Ujfalussy1,2 1Department of Theoretical Physics, Budapest University of Technology and Economics, Budafoki út 8., HU-1111 Budapest, Hungary 2Wigner Research Centre for Physics, Institute… read more here.
Keywords: relativistic first; principles theory; physics; first principles ... See more keywords
On Star Selection Principles Theory
Sign Up to like & getrecommendations! Published in 2023 at "Axioms"
DOI: 10.3390/axioms12010093
Abstract: The aim of this paper is to review up-to-date recent results in the field of star selection principles, a rapidly growing area of topology, and to present a few new results. read more here.
Keywords: topology; star selection; principles theory; selection principles ... See more keywords
Basic Variables to Be Reproduced in the First-Principles Theory for Superconductors: Fluctuation of the Particle Number
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the Physical Society of Japan"
DOI: 10.7566/jpsj.86.064704
Abstract: We show that the diagonal elements of the second-order reduced density matrix (RDM2) can be chosen as basic variables for describing the superconducting state, instead of the off-diagonal elements ... read more here.
Keywords: basic variables; theory superconductors; first principles; variables reproduced ... See more keywords