arXiv subjects

Diego Mastrogiuseppe

Publications and source records attributed to Diego Mastrogiuseppe.

11 recordsLinked to original sources

arXiv2019

Lateral heterostructures and one-dimensional interfaces in 2D transition metal dichalcogenides

The growth and exfoliation of two-dimensional (2D) materials have led to the creation of edges and novel interfacial states at the juncture between crystals with different composition or phases. These hybrid heterostructures (HSs) can be built as vertical van der Waals \emph{stacks}, resulting in a 2D interface, or as \emph{stitched} adjacent monolayer crystals, resulting in one-dimensional (1D) interfaces. Although most attention has been focused on vertical HSs, increasing theoretical and experimental interest in 1D interfaces is evident. In-plane interfacial states between different 2D materials inherit properties from both crystals, giving rise to robust states with unique 1D non-parabolic dispersion and strong spin-orbit effects. With such unique characteristics, these states provide an exciting platform for realizing 1D physics. Here, we review and discuss advances in 1D heterojunctions, with emphasis on theoretical approaches for describing those between semiconducting transition metal dichalcogenides $MX_{2}$ (with $M$=Mo, W and $X$= S, Se, Te), and how the interfacial states can be characterized and utilized. We also address how the interfaces depend on edge geometries (such as zigzag and armchair) or strain, as lattice parameters differ across the interface, and how these features affect excitonic/optical response. This review is intended to serve as a resource for promoting theoretical and experimental studies in this rapidly evolving field.

cond-mat.mes-hall↗

arXiv2019

Lateral Interfaces of Transition Metal Dichalcogenides: A Stable Tunable One-Dimensional Physics Platform

We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the heterostructure. These are one-dimensional (1D) in nature, lying within the bandgap of the bulk structure and exhibiting complex orbital and spin structure. We describe such heteroribbons with a three-orbital tight-binding model that uses first principles and experimental parameters as input, allowing us to model realistic systems. Analytical modeling for the 1D interfacial bands results in long-range hoppings due to the hybridization along the interface, with strong spin-orbit couplings. We further explore the Ruderman-Kittel-Kasuya-Yosida indirect interaction between magnetic impurities located at the interface. The unusual features of the interface states result in effective long-range exchange non-collinear interactions between impurities. These results suggest that transition-metal dichalcogenide interfaces could serve as stable, tunable 1D platform with unique properties for possible use in exploring Majorana fermions, plasma excitations and spintronics applications.

cond-mat.mes-hall↗

arXiv2018

Long range of indirect exchange interaction on the edges of MoS$_{2}$ flakes

We study the Ruderman-Kittel-Kasuya-Yosida interaction between two magnetic impurities connected to the edges of zigzag-terminated MoS$_{2}$ flakes. When the impurities lie on the edges of the flake, the effective exchange interaction exhibits sizable noncollinear Dzyaloshinskii-Moriya character that competes with a strong Ising coupling. We analyze the characteristic decay exponent for doping levels inside the band gap of the infinite layer, corresponding to edge states of the flake at the Fermi level. The characteristic exponents show sub-two-dimensional (sub-2D) behavior for these band fillings, with decays much slower than quadratic. The Ising interaction has effectively one-dimensional (1D) long range, while the noncollinear component that grows for short impurity separation becomes comparable in magnitude. The resulting tunable exchange interaction on these systems opens the way for the study of interesting phases of impurity arrays with long-range stable helical order.

cond-mat.mes-hall↗

arXiv2016

Noncollinear exchange interaction in transition metal dichalcogenide edges

We study the Ruderman-Kittel-Kasuya-Yosida effective exchange interaction between magnetic impurities embedded on the edges of transition-metal dichalcogenide flakes, using a three-orbital tight-binding model. Electronic states lying midgap of the bulk structure have strong one-dimensional (1D) character, localized on the edges of the crystallite. This results in exchange interactions with $1/r$ (or slower) decay with distance $r$, similar to other 1D systems. Most interestingly, however, the strong spin-orbit interaction in these materials results in sizable non-collinear Dzyaloshinskii-Moriya interactions between impurities, comparable in size to the usual Ising and in-plane components. Varying the relevant Fermi energy by doping or gating may allow one to modulate the effective interactions, controlling the possible helical ground state configurations of multiple impurities.

cond-mat.mes-hall↗

arXiv2016

Symmetries and hybridization in the indirect interaction between magnetic moments in MoS$_{2}$ nanoflakes

We study the Ruderman-Kittel-Kasuya-Yosida interaction between magnetic impurities embedded in $p$-doped transition metal dichalcogenide triangular flakes. The role of underlying symmetries is exposed by analyzing the interaction as a function of impurity separation along zigzag and armchair trajectories, in specific parts of the sample. The large spin-orbit coupling in these materials produces strongly anisotropic interactions, including a Dzyaloshinskii-Moriya component that can be sizable and tunable. We consider impurities hybridized to different orbitals of the host transition-metal and identify specific characteristics for onsite and hollow site adsorption. In the onsite case, the different components of the interaction have similar magnitude, while for the hollow site, the Ising component dominates. We also study the dependence of the interaction with the level of hole doping, which supplies a further degree of tunability. Our results could provide ways of controlling helical long range spin order in magnetic impurity arrays embedded in these materials.

cond-mat.mes-hall↗

arXiv2015

Hybridization and anisotropy in the exchange interaction in 3D Dirac semimetals

We study the Ruderman-Kittel-Kasuya-Yosida interaction in 3D Dirac semimetals. Using retarded Green's functions in real space, we obtain and analyze asymptotic expressions for the interaction, with magnetic impurities at different distances and relative angle with respect to high symmetry directions on the lattice. We show that the Fermi velocity anisotropy in these materials produces a strong renormalization of the magnitude of the interaction, as well as a correction to the frequency of oscillation in real space. Hybridization of the impurities to different conduction electron orbitals are shown to result in interesting anisotropic spin-spin interactions which can generate spiral spin structures in doped samples.

cond-mat.mes-hall↗

arXiv2014

Kondo effect in graphene with Rashba spin-orbit coupling

We study the Kondo screening of a magnetic impurity adsorbed in graphene in the presence of Rashba spin-orbit interaction. The system is described by an effective single-channel Anderson impurity model, which we analyze using the numerical renormalization group. The nontrivial energy dependence of the host density of states gives rise to interesting behaviors under variation of the chemical potential or the spin-orbit coupling. Varying the Rashba coupling produces strong changes in the Kondo temperature characterizing the many-body screening of the impurity spin, and at half filling allows approach to a quantum phase transition separating the strong-coupling Kondo phase from a free-moment phase. Tuning the chemical potential close to sharp features of the hybridization function results in striking features in the temperature dependences of thermodynamic quantities and in the frequency dependence of the impurity spectral function.

cond-mat.str-el↗

arXiv2013

Generation of chiral solitons in antiferromagnetic chains by a quantum quench

We analyze the time evolution of a magnetic excitation in a spin-1/2 antiferromagnetic Heisenberg chain after a quantum quench. By a proper modulation of the magnetic exchange coupling, we prepare a static soliton of total spin 1/2 as an initial spin state. Using bosonization and a numerical time dependent density matrix renormalization group algorithm, we show that the initial excitation evolves to a state composed of two counter-propagating chiral states, which interfere to yield = 1/4 for each mode. We find that these dynamically generated states remain considerably stable as time evolution is carried out. We propose spin-Peierls materials and ultracold-atom systems as suitable experimental scenarios in which to conduct and observe this mechanism.

cond-mat.str-el↗

arXiv2013

Quantum phase transitions into Kondo states in bilayer graphene

We study a magnetic impurity intercalated in bilayer graphene. A representative configuration generates a hybridization function with strong dependence on the conduction-electron energy, including a full gap with one hard and one soft edge. Shifts of the chemical potential via gating or doping drive the system between non-Kondo (free-moment) and Kondo-screened phases, with strong variation of the Kondo scale. Quantum phase transitions near the soft edge are of Kosterlitz-Thouless type, while others are first order. Near the hard edge, a bound-state singlet appears inside the gap; although of single-particle character, its signatures in scanning tunneling spectroscopy are very similar to those arising from a many-body Kondo resonance.

cond-mat.str-el↗

arXiv2009

Relevance of nonadiabatic effects in TiOCl

We analyze the effect of the phonon dynamics on a recently proposed model for the uniform-incommensurate transition seen in TiOX compounds. The study is based on a recently developed formalism for nonadiabatic spin-Peierls systems based on bosonization and a mean field RPA approximation for the interchain coupling. To reproduce the measured low temperature spin gap, a spin-phonon coupling quite bigger than the one predicted from an adiabatic approach is required. This high value is compatible with the renormalization of the phonons in the high temperature phase seen in inelastic x-ray experiments. Our theory accounts for the temperature of the incommensurate transition and the value of the incommensurate wave vector at the transition point.

cond-mat.str-el↗

arXiv2009

Microscopic theory for the incommensurate transition in TiOCl

We propose a microscopic mechanism for the incommensurate phase in TiOX compounds. The model includes the antiferromagnetic chains of Ti ions immersed in the phonon bath of the bilayer structure. Making use of the Cross-Fisher theory, we show that the geometrically frustrated character of the lattice is responsible for the structural instability which leads the chains to an incommensurate phase without an applied magnetic field. In the case of TiOCl, we show that our model is consistent with the measured phonon frequencies at $T=300K$ and the value of the incommensuration vector at the transition temperature. Moreover, we find that the dynamical structure factor shows a progressive softening of an incommensurate phonon near the zone boundary as the temperature decreases. This softening is accompanied by a broadening of the peak which gets asymmetrical as well when going towards the transition temperature. These features are in agreement with the experimental inelastic X-ray measurements.

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