arXiv subjects

J. Mejía-López

Publications and source records attributed to J. Mejía-López.

4 recordsLinked to original sources

arXiv2022

Tuning magnetic states in CrI$_3$ bilayers via Moiré patterns

Commensurable twisted bilayers can drastically change the magnetic properties of chromium trihalide layered compounds, which opens novel opportunities for tuning magnetic states through layer rotations. Here, we introduce a mathematical approach to obtain moiré patterns in twisted hexagonal bilayers by performing a certain commensurable rotation $θ$ over one layer. To test our approach, we apply it to find moiré structures with $θ=21.79^{\circ}$ and $32.20^{\circ}$ in the phases R$\bar{3}$ and C2/m of CrI$_{3}$. For comparison purposes, we also consider a non-shifted CrI$_{3}$ structure. Electronic and magnetic properties of the so-obtained systems are computed by \textit{Ab-Initio} methodologies. Results show the presence of rotation-angle-dependent magnetic configurations and steep modifications of the dispersion bands due to variations in the nearest and next nearest distances among layers of Cr atoms. Modifications obtained from these commensurable rotations are discussed on the basis of competition among different energy contributions due to changes in the atomic arrangements.

cond-mat.mtrl-sci↗

arXiv2020

Strain-induced phase transition in CrI$_{3}$ bilayers

A monolayer of CrI$_3$ is a two-dimensional crystal that in its equilibrium configuration is a ferromagnetic semiconductor, however, two coupled layers can be ferromagnetic or antiferromagnetic depending on the stacking. We study the magnetic phase diagram upon the strain of the antiferromagnetically coupled bilayer with C2/m symmetry. We found that strain may be an efficient tool to tune the magnetic phase of the structure. A tensile strain stabilizes the antiferromagnetic phase, while a compressive strain turns the system ferromagnetic. We understood that behavior by looking at the relative displacement between layers due to the strain. We also study the evolution of the magnetic anisotropy, the magnetic exchange coupling between Cr atoms, and how the Curie temperature is affected by the strain.

cond-mat.mes-hall↗

arXiv2017

\textit{Ab Initio} Study of the Magnetic Behavior of Metal Hydrides: A Comparison with the Slater-Pauling Curve

We investigated the magnetic behavior of metal hydrides FeH$_{x}$, CoH$_{x}$ and NiH$_{x}$ for several concentrations of hydrogen ($x$) by using Density Functional Theory calculations. Several structural phases of the metallic host: bcc ($α$), fcc ($γ$), hcp ($\varepsilon$), dhcp ($\varepsilon'$), tetragonal structure for FeH$_{x}$ and $\varepsilon$-$γ$ phases for CoH$_{x}$, were studied. We found that for CoH$_{x}$ and NiH$_{x}$ the magnetic moment ($m$) decreases regardless the concentration $x$. However, for FeH$_{x}$ systems, $m$ increases or decreases depending on the variation in $x$. In order to find a general trend for these changes of $m$ in magnetic metal hydrides, we compare our results with the Slater-Pauling curve for ferromagnetic metallic binary alloys. It is found that the $m$ of metal hydrides made of Fe, Co and Ni fits the shape of the Slater-Pauling curve as a function of $x$. Our results indicate that there are two main effects that determine the $m$ value due to hydrogenation: an increase of volume causes $m$ to increase, and the addition of an extra electron to the metal always causes it to decrease. We discuss these behaviors in detail.

cond-mat.mtrl-sci↗

arXiv2011

Asymmetric magnetic dots: A way to control magnetic properties

We have used Monte Carlo simulations to investigate the magnetic properties of asymmetric dots as a function of their geometry. The asymmetry of round dots is produced by cutting off a fraction of the dot and is characterized by an asymmetry parameter $α$. This shape asymmetry has interesting effects on the coercivity ($H_{c}$), remanence ($M_{r}$), and barrier for vortex and C- state formation. The dependences of $H_{c}$ and $M_{r}$ are non monotonic as a function of $α$ with a well defined minima in these parameters. The vortex enters the most asymmetric part and exits through the symmetric portion of the dot. With increasing $α$ the vortex formation starts with a C-state which persists for longer fields and the barrier for vortex exit diminishes with increasing asymmetry, thus providing control over the magnetic chirality. This implies interesting, naively-unexpected, magnetic behavior as a function of geometry and magnetic field.

cond-mat.mes-hall↗