Electronic structure and magnetic exchange interactions of Cr-based van der Waals ferromagnets. A comparative study between CrBr3 and Cr2Ge2Te6 CiteSeerX Electronic structure and magnetic interactions electronic structure magnetic interaction heavy fermion specific heat crystal structure small type geometric frustration augmented spherical wave calculation electronic property ferromagnetic order minor role electron heavy fermion compound liv2o4 weak superexchange interaction spin-polarized calculation local density approximation electron
electronic structure magnetic interaction heavy fermion specific heat crystal structure small type geometric frustration augmented spherical wave calculation electronic property ferromagnetic order minor role electron heavy fermion compound liv2o4 weak superexchange interaction spin-polarized calculation local density approximation electron Electronic Structure and Magnetic Interactions in Ti Based on first-principles calculation method, the electronic structure and magnetic interactions of Ti-doped -Ga 2 O 3 and Ti-V O-co-doped in -Ga 2 O 3 have been investigated. The calculated results indicate that Ti atom tends to substitute the Ga atom at the octahedral coordinated site and the doped system prefers spin-polarized state. Electronic structure and exchange interactions from ab Cardias Alves de Almeida, R. 2018. Electronic structure and exchange interactions from ab initio theory. New perspectives and implementations. Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 1663. 84 pp. Uppsala:Acta Universitatis Upsaliensis. ISBN 978-91-513-0315-4.
Single-molecule magnets V15 (K6[V15As6O42(H2O)]8H2O) have attracted a great deal of attention recently. These magnets are promising systems for studying such fundamental problems as spin tunneling, spin coherence, and low-temperature spin relaxation. To understand in detail the internal magnetic and electronic structure, and the intramolecular interactions responsible for the Electronic structure and exchange interactions in the of electron states and magnetic exchange interactions in the pyrochlores. Our analysis is based on results of density-functional studies of the electronic structure and on results of simple models that we develop for the magnetic exchange. We propose that the relatively weak ferromagnetism in the Electronic structure and magnetic exchange coupling in Density-functional studies of the electronic structures and exchange interaction parameters have been performed for a series of ferromagnetic full Heusler alloys of general formula Co 2 MnZ (Z=Ga,Si,Ge,Sn) , Rh 2 MnZ (Z=Ge,Sn,Pb) , Ni 2 MnSn , Cu 2 MnSn , and Pd 2 MnSn , and the connection between the electronic spectra and the magnetic interactions have been studied. Different mechanisms
This different electronic behaviour is responsible for the robust insulating state of CrBr 3, in which the magnetic exchange constants evolve monotonically with pressure, and the proximity to a metalinsulator transition predicted for Cr 2 Ge 2 Te 6, which causes a non-monotonic evolution of its magnetic ordering temperature. We provide a microscopic understanding for the pressure evolution of the magnetic Electronic structure and magnetic interactions in MnN and Electronic structure calculations were performed for MnN and Mn3N2 using a full-potential linearized muffin-tin orbital method in the local spin density approximation. Structural relaxation by ener Electronic structure and magnetic interactions in Ni-doped Sep 01, 2009 · Based on first-principles spin-polarized density functional theory calculations, the electronic structures and magnetic interactions of Ni-doped -Ga 2 O 3 are investigated. Calculations predict that the spin-polarized state, with a magnetic moment of about 1.0 or 3.0 B per Ni-dopant when one Ni atom substitutes the octahedral or tetrahedral site, is more favorable in energy than that of non
Electronic structure, exchange interactions, and Curie temperature in diluted III-V magnetic semiconductors:(GaCr)As, (GaMn)As, (GaFe)As. Sandratskii, L. M. Bruno, P. Abstract. We complete our earlier [Phys. Rev. B 66, 134435 (2002)] study of the electronic structure, exchange interactions, and Curie temperature in (GaMn)As and extend the study to two other diluted magnetic semiconductors Electronic structure, exchange interactions, and Curie Electronic structure, exchange interactions, and Curie temperature in diluted III-V magnetic semiconductors:GaCrAs, GaMnAs, GaFeAs L. M. Sandratskii and P. Bruno Max-Planck Institut fu¨r Mikrostrukturphysik, D-06120 Halle, Germany ~Received 3 December 2002; revised manuscript received 6 March 2003; published 4 June 2003! Improved electronic structure and magnetic exchange Improved electronic structure and magnetic exchange interactions in transition metal oxides Priya Gopal1, Riccardo De Gennaro2, Marta S. Gusmao3, Rabih Al Rahal Al Orabi1, Haihang Wang5, Stefano Curtarolo4, Marco Fornari1;4 and Marco Buongiorno Nardelli4;5 1 Department of Physics, Central Michigan University, Mt. Pleasant, MI 48859 2 Dipartimento di Fisica, Universit a di Roma Tor
Oct 05, 2017 · In this work, we demonstrate the success of ACBN0 in predicting the electronic and magnetic exchange interactions in MnO, FeO, CoO, NiO, Co 3 O 4 and Mn 3 O 4. This article is organized as follows:in section 2 , we discuss the computational methods; the electronic and the magnetic properties of the mono-oxides are presented in section 3 ; and Magnetic interactions and electronic structure of conguration has been observed to have lower energy. We study the magnetic exchange interaction between the atoms for the materials with ferromagnetic and antiferromagnetic congurations to show the effects of Fe and Cr substitution at Mn site on the magnetic interactions of these systems. Detailed analysis of electronic structure in(PDF) Electronic structure and exchange interactions in Exchange interactions in a V15 magnetic molecular nanocluster are considered, and the process of magnetization reversal for various values of the set of exchange constants is analyzed by the Monte