A group-theoretic approach to the origin of chirality-induced spin selectivity in non-magnetic molecular junctions

Autor: W. Dednam, M. A. García-Blázquez, Linda A. Zotti, E. B. Lombardi, C. Sabater, S. Pakdel, J. J. Palacios

Publikováno v: Dednam, W, García-Blázquez, M A, Zotti, L A, Lombardi, E B, Sabater, C, Pakdel, S & Palacios, J J 2023, ' A Group-Theoretic Approach to the Origin of Chirality-Induced Spin-Selectivity in Nonmagnetic Molecular Junctions ', ACS Nano, vol. 17, no. 7, pp. 6452-6465 . https://doi.org/10.1021/acsnano.2c11410

Spin-orbit coupling gives rise to a range of spin-charge interconversion phenomena in non-magnetic systems where certain spatial symmetries are reduced or absent. Chirality-induced spin selectivity (CISS), a term that generically refers to a spin-dep

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcdef37c5312d27dec40922b933cd84a
http://arxiv.org/abs/2211.04830

Stability, magnetic and electronic properties of cobalt–vacancy defect pairs in graphene: A first-principles study

Autor: E. B. Lombardi, A.T. Raji

Publikováno v: Physica B: Condensed Matter. 464:28-37

We report a first-principles investigation of the structural, electronic and magnetic properties of cobalt–vacancy defect complexes in graphene, within the framework of density-functional theory (DFT), incorporating DFT+U. Specifically, we consider

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::be12f6f6a785400d9b3cadc43a4bce6b
https://doi.org/10.1016/j.physb.2015.02.017

Cu doped diamond: Effect of charge state and defect aggregation on spin interactions in a 3d transition metal doped wide band-gap semiconductor

Autor: E. B. Lombardi, E. M. Benecha

Publikováno v: Journal of Applied Physics. 123:185706

We present a first principles study of Cu in diamond using DFT+U electronic structure methods, by carefully considering the impact of co-doping, charge state, and Fermi level position on its stability, lattice location, spin states, and electronic pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::175d0d599c1200f8bff48d9b8c8f09d0
https://doi.org/10.1063/1.5006565

Boron–hydrogen complexes in diamond and their vibrational properties

Autor: E. B. Lombardi

Publikováno v: Diamond and Related Materials. 18:835-838

Diamond is a promising candidate material for high power, high temperature and high frequency electronics. Boron is well known as a shallow acceptor in diamond. Recently diamond has been successfully shallow n-type doped by introducing an excess of d

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d01e07c38f7d7707952648b7f7734459
https://doi.org/10.1016/j.diamond.2009.01.022

Li and Na in diamond: A comparison of DFT models

Autor: E. B. Lombardi, Alison Mainwood

Publikováno v: Physica B: Condensed Matter. :57-61

Interstitial Li and Na have been suggested as alternatives for achieving shallow n-type doping of diamond. Experimental results have however been contradictory. We report ab initio density functional theory modeling of Li and Na in diamond and compar

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::968156020c747b3cce7b175f7aeb8c5d
https://doi.org/10.1016/j.physb.2007.08.113