arXiv subjects

E. Burzo

Publications and source records attributed to E. Burzo.

7 recordsLinked to original sources

arXiv2018

Density functional theory study of vacancy induced magnetism in Li$_{3}$N

The effect of lithium vacancies in the hexagonal structure of $α-$Li$_3$N, is studied within the framework of density functional theory. Vacancies ($\square$) substituting for lithium in $α-$Li$_2$(Li$_{1-x}\square_x$)N are treated within the coherent potential approximation as alloy components. According to our results long range N($p$)-ferromagnetism ($\sim 1$ $μ_B$) sets in for vacancy substitution within the [Li$_2$N] layers ($x \ge 0.7$) with no significant change in unit cell dimensions. By total energies differences we established that in-plane exchange couplings are dominant. Vacancies substituting inter-plane Li, leads to a considerable structural collapse ($c/a \approx 0.7$) and no magnetic moment formation.

cond-mat.mtrl-sci↗

arXiv2018

Magnetic properties of YCo$_5$ compound at high pressure

The crystal structure and magnetic properties of YCo$_5$ compound have been studied by neutron diffraction, in the pressure range $0 \le p \le 7.2 \ GPa$. The experimental data are analyzed together with results from the combined Density Functional and Dynamical Mean-Field Theory. A good agreement between the experimentally determined and calculated values of cobalt moments is shown. Our scenario for the behavior of YCo$_5$ under pressure, is the combined action of the Lifshitz transition with a strong local electron-electron interaction.

cond-mat.str-el↗

arXiv2018

Positron annihilation spectroscopy for the pure and Niobium doped ZrCo$_2$Sn Heusler compound

We perform spin-polarized two-dimensional angular correlation of annihilation radiation (2D-ACAR) calculations for the recently predicted ZrCo$_2$Sn-Weyl Heusler compound within the density functional theory using the generalized gradient approximation (GGA) and its extension GGA+U. We confirm that within the GGA+U method, a pair of Weyl-points are revealed, and that by doping with Niobium, for the composition Nb$_{0.3}$Zr$_{0.7}$Co$_2$Sn, the Weyl points are reaching the Fermi level. Our 2D-ACAR results indicate the existence of the Weyl points, however, within the present calculation, it is uncertain if the smearing at the Fermi level can be attributed to the positron wave function.

cond-mat.str-el↗

arXiv2014

Magnetism and electronic structure calculation of SmN

The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U approach, a N(2$p$) band polarization of $\simeq 0.3\ μ_B$ is induced by Sm(4$f$)-N(2$p$) hybridization, and a half-metallic ground state is obtained. By including spin-orbit coupling the magnetic structure was shown to be antiferromagnetic of type II, with Sm spin and orbital moments nearly cancelling. This results into a semiconducting ground state, which is in agreement with experimental results.

cond-mat.mtrl-sci↗

arXiv2010

Rare-earth impurities in Co$_2$MnSi: an opportunity to improve Half-Metallicity at finite temperatures

We analyse the effects of doping Holmium impurities into the full-Heusler ferromagnetic alloy Co$_2$MnSi. Experimental results, as well as theoretical calculations within Density Functional Theory in the "Local Density Approximation plus Hubbard U" framework show that the holmium moment is aligned antiparallely to that of the transition metal atoms. According to the electronic structure calculations, substituting Ho on Co sites introduces a finite density of states in the minority spin gap, while substitution on the Mn sites preserves the half-metallic character.

cond-mat.mtrl-sci↗

arXiv2008

Non-quasiparticle states in Co$_2$MnSi evidenced through magnetic tunnel junction spectroscopy measurements

We investigate the effects of electronic correlations in the full-Heusler Co$_2$MnSi, by combining a theoretical analysis of the spin-resolved density of states with tunneling-conductance spectroscopy measurements using Co$_2$MnSi as electrode. Both experimental and theoretical results confirm the existence of so-called non-quasiparticle states and their crucial contribution to the finite-temperature spin polarisation in this material.

cond-mat.str-el↗

arXiv2005

Al-Substitution Effects on Physical Properties of the Colossal Magnetoresistance Compouns La0.67ca0.33mno3

We present a detailed study of the polycrystalline perovskite manganites La0.67Ca0.33AlxMn1-xO3 (x = 0, 0.1, 0.15, 0.5) at low temperatures and high magnetic fields, including electrical resistance, magnetization, ac susceptibility. The static magnetic susceptibility was also measured up to 1000 K. All the samples show colossal magnetoresistance behavior and the Curie temperatures decrease with Al doping. The data suggest the presence of correlated magnetic clusters near by the ferromagnetic transition. This appears to be a consequence of the structural and magnetic disorder created by the random distribution of Al atoms.

cond-mat.str-el↗