arXiv subjects

K. Carva

Publications and source records attributed to K. Carva.

26 records · Page 2Linked to original sources

arXiv2017

Local moment formation and magnetic coupling of Mn guest atoms in Bi$_2$Se$_3$: a low-temperature ferromagnetic resonance study

We compare the magnetic and electronic configuration of single Mn atoms in molecular beam epitaxy (MBE) grown Bi$_2$Se$_3$ thin films, focusing on electron paramagnetic (ferromagnetic) resonance (EPR and FMR, respectively) and superconducting quantum interference device (SQUID) techniques. X-ray diffraction (XRD) and electron backscatter diffraction (EBSD) reveal the expected increase of disorder with increasing concentration of magnetic guest atoms, however, Kikuchi patterns show that disorder consists majorly of mum-scale 60deg twin domains in the hexagonal Bi$_2$Se$_3$ structure, which are promoted by the presence of single unclustered Mn impurities. Ferromagnetism below T$_C$ ~ (5.4 +/- 0.3) K can be well described by critical scaling laws M(T) ~ (1-T/T$_C$)$^β$ with a critical exponent $β$ = (0.34 +/- 0.2)), suggesting 3D Heisenberg class magnetism instead of e.g. 2D-type coupling between Mn-spins in van der Waals gap sites. From EPR hyperfine structure data we determine a Mn$^{2+}$ (d$^5$, S = 5/2) electronic configuration with a g-factor of 2.002 for -1/2 --> +1/2 transitions. In addition, from the strong dependence of the low temperature FMR fields and linewidth on the field strength and orientation with respect to the Bi$_2$Se$_3$ (0001) plane, we derive magnetic anisotropy energies of up to K1 = -3720 erg/cm3 in MBE-grown Mn-doped Bi$_2$Se$_3$, reflecting the first order magneto-crystalline anisotropy of an in-plane magnetic easy plane in a hexagonal (0001) crystal symmetry. Across the ferromagnetic-paramagnetic transition the FMR intensity is suppressed and resonance fields converge the paramagnetic limit of a Mn$^{2+}$ (d$^5$, S = 5/2).

cond-mat.mtrl-sci↗

arXiv2016

Electronic and transport properties of the Mn-doped topological insulator Bi$_{2}$Te$_{3}$: A first-principles study

We present a first-principles study of the electronic, magnetic, and transport properties of the topological insulator Bi$_{2}$Te$_{3}$ doped with Mn atoms in substitutional (Mn$_{\rm Bi}$) and interstitial van der Waals gap positions (Mn$_{\rm i}$), which act as acceptors and donors, respectively. The effect of native Bi$_{\rm Te}$- and Te$_{\rm Bi}$-antisite defects and their influence on calculated electronic transport properties is also investigated. We have studied four models representing typical cases, namely (i) Bi$_{2}$Te$_{3}$ with and without native defects, (ii) Mn$_{\rm Bi}$ defects with and without native defects, (iii) the same but for Mn$_{\rm i}$ defects, and (iv) the combined presence of Mn$_{\rm Bi}$ and Mn$_{\rm i}$. It was found that lattice relaxations around Mn$_{\rm Bi}$ defects play an important role for both magnetic and transport properties. The resistivity is strongly influenced by the amount of carriers, their type, and by the relative positions of the Mn-impurity energy levels and the Fermi energy. Our results indicate strategies to tune bulk resistivities, and also help to uncover the location of Mn atoms in measured samples. Calculations indicate that at least two of the considered defects have to be present simultaneously in order to explain the experimental observations, and the role of interstitials may be more important than expected.

cond-mat.mtrl-sci↗

arXiv2015

Generation of high-frequency strain waves during femtosecond demagnetization of Fe/MgO films

We use femtosecond time-resolved hard x-ray scattering to detect coherent acoustic phonons excited during ultrafast laser demagnetization of bcc Fe films. We determine the lattice strain propagating through the film through analysis of the oscillations in the x-ray scattering signal as a function of momentum transfer. The width of the strain wavefront is ~100 fs, similar to demagnetization timescales. First-principles calculations show that the high-frequency Fourier components of the strain, which give rise to the sharp wavefront, could in part originate from non-thermal dynamics of the lattice not considered in the two-temperature model.

cond-mat.mtrl-sci↗

arXiv2015

Multiscale modeling of ultrafast element-specific magnetization dynamics of ferromagnetic alloys

A hierarchical multiscale approach to model the magnetization dynamics of ferromagnetic ran- dom alloys is presented. First-principles calculations of the Heisenberg exchange integrals are linked to atomistic spin models based upon the stochastic Landau-Lifshitz-Gilbert (LLG) equation to calculate temperature-dependent parameters (e.g., effective exchange interactions, damping param- eters). These parameters are subsequently used in the Landau-Lifshitz-Bloch (LLB) model for multi-sublattice magnets to calculate numerically and analytically the ultrafast demagnetization times. The developed multiscale method is applied here to FeNi (permalloy) as well as to copper- doped FeNi alloys. We find that after an ultrafast heat pulse the Ni sublattice demagnetizes faster than the Fe sublattice for the here-studied FeNi-based alloys.

cond-mat.mtrl-sci↗

arXiv2013

Ab initio theory of electron-phonon mediated ultrafast spin relaxation of laser-excited hot electrons in transition-metal ferromagnets

We report a computational theoretical investigation of electron spin-flip scattering induced by the electron-phonon interaction in the transition-metal ferromagnets bcc Fe, fcc Co and fcc Ni. The Elliott-Yafet electron-phonon spin-flip scattering is computed from first-principles, employing a generalized spin-flip Eliashberg function as well as ab initio computed phonon dispersions. Aiming at investigating the amount of electron-phonon mediated demagnetization in femtosecond laser-excited ferromagnets, the formalism is extended to treat laser-created thermalized as well as nonequilibrium, nonthermal hot electron distributions. Using the developed formalism we compute the phonon-induced spin lifetimes of hot electrons in Fe, Co, and Ni. The electron-phonon mediated demagnetization rate is evaluated for laser-created thermalized and nonequilibrium electron distributions. Nonthermal distributions are found to lead to a stronger demagnetization rate than hot, thermalized distributions, yet their demagnetizing effect is not enough to explain the experimentally observed demagnetization occurring in the subpicosecond regime.

cond-mat.mes-hall↗

arXiv2011

Ab initio investigation of Elliott-Yafet electron-phonon mechanism in laser-induced ultrafast demagnetization

The spin-flip (SF) Eliashberg function is calculated from first-principles for ferromagnetic Ni to accurately establish the contribution of Elliott-Yafet electron-phonon SF scattering to Ni's femtosecond laser-driven demagnetization. This is used to compute the SF probability and demagnetization rate for laser-created thermalized as well as non-equilibrium electron distributions. Increased SF probabilities are found for thermalized electrons, but the induced demagnetization rate is extremely small. A larger demagnetization rate is obtained for {non-equilibrium} electron distributions, but its contribution is too small to account for femtosecond demagnetization.

cond-mat.mes-hall↗

arXiv2009

Landauer theory of ballistic torkances in non-collinear spin valves

We present a theory of voltage-induced spin-transfer torques in ballistic non-collinear spin valves. The torkance on one ferromagnetic layer is expressed in terms of scattering coefficients of the whole spin valve, in analogy to the Landauer conductance formula. The theory is applied to Co/Cu/Ni(001)-based systems where long-range oscillations of the Ni-torkance as a function of Ni thickness are predicted. The oscillations represent a novel quantum size effect due to the non-collinear magnetic structure. The oscillatory behavior of the torkance contrasts a thickness-independent trend of the conductance.

cond-mat.mtrl-sci↗

arXiv2009

Influence of laser-excited electron distributions on the x-ray magnetic circular dichroism spectra: Implications for femtosecond demagnetization in Ni

In pump-probe experiments an intensive laser pulse creates non-equilibrium excited electron distributions in the first few hundred femtoseconds after the pulse. The influence of non-equilibrium electron distributions caused by a pump laser on the apparent X-ray magnetic circular dichroism (XMCD) signal of Ni is investigated theoretically here for the first time, considering electron distributions immediately after the pulse as well as thermalized ones, that are not in equilibrium with the lattice or spin systems. The XMCD signal is shown not to be simply proportional to the spin momentum in these situations. The computed spectra are compared to recent pump-probe XMCD experiments on Ni. We find that the majority of experimentally observed features considered to be a proof of ultrafast spin momentum transfer to the lattice can alternatively be attributed to non-equilibrium electron distributions. Furthermore, we find the XMCD sum rules for the atomic spin and orbital magnetic moment to remain valid, even for the laser induced non-equilibrium electron distributions.

cond-mat.mtrl-sci↗