arXiv subjects

Igor Rozhansky

Publications and source records attributed to Igor Rozhansky.

8 recordsLinked to original sources

arXiv2026

Refined DFT recipe and renormalisation of band-edge parameters for electrons in monolayer MoS$_2$ informed by the measured spin-orbit splitting

Conduction band-edge spin-orbit splitting (SOS) in monolayer transition metal dichalcogenides determines a competition between bright and dark excitons and sets conditions for spintronics applications of these semiconductors. Here, we report the SOS measurement for electrons in monolayer MoS$_2$, found from the threshold density, $n_*$, for the upper spin-orbit-split band population, which exceeds by an order of magnitude the values expected from the conventional density functional theory (DFT). Theoretically, half of the observed value can be attributed to the exchange enhancement of SOS in a finite-density electron gas, but explaining the rest requires refining the DFT approach. As the conduction band SOS in MoS$_2$ is set by a delicate balance between the contribution of sulphur $p_x$ and $p_y$ orbitals and $d_{z^2}-d_{xz}$ and $d_{z^2}-d_{yz}$ mixing in molybdenum, we use a DFT+U+V framework for fine-tuning the orbital composition of the relevant band-edge states. An optimised choice of Hubbard U/V parameters produces close agreement with the experimentally observed conduction band SOS in MoS$_2$, simultaneously resulting in the valence-band SOS and the quasi-particle band gap which are closer to their values established in the earlier-published experiments.

cond-mat.mes-hall↗

arXiv2025

Gate-tunable band-edge in few-layer MoS$_2$

Transition metal dichalcogenides (TMDs) have garnered significant research interest due to the variation in band-edge locations within the hexagonal Brillouin zone between single-layer and bulk configurations. In monolayers, the conduction band minima are centered at the $K$-points, whereas in multilayers, they shift to the $Q$-points, midway between the $\Gamma$ and $K$ points. In this study, we conduct magnetotransport experiments to measure the occupation in the $Q$ and $K$ valleys in fourlayer molybdenum disulfide (MoS$_2$). We demonstrate electrostatic tunability of the conduction band edge by combining our experimental results with a hybrid $k\cdot p$ tight-binding model that accounts for interlayer screening effects in a self-consistent manner. Furthermore, we extend our model to bilayer and trilayer MoS$_2$, reconciling prior experimental results and quantifying the tunable range of band edges in atomically thin TMDs.

cond-mat.mes-hall↗

arXiv2024

Exchange-enhanced spin-orbit splitting and its density dependence for electrons in monolayer transition metal dichalcogenides

We show that spin-orbit splitting (SOS) in monolayers of semiconducting transition metal dichalcogenides (TMDs) is substantially enhanced by electron-electron interaction. This effect, similar to the exchange-enhancement of the electron g-factor, is most pronounced for conduction band electrons (in particular, in MoS$_2$), and it has a non-monotonic dependence on the carrier sheet density, $n$. That is, the SOS enhancement is peaked at the onset of filling of the higher-energy spin-split band by electrons, $n_*$, which also separates the regimes of slow (at $n n_*$) spin and valley relaxation of charge carriers. Moreover, this density itself is determined by the enhanced SOS value, making the account of exchange renormalisation important for the analysis of spintronic performance of field-effect transistors based on two-dimensional TMDs.

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arXiv2024

Correlated Electron Effects in Chromium Trihalide Hetostructures with Graphene: A Tight-Binding Model Perspective

In this study, we present an effective tight-binding model for an accurate description of the lowest energy quadruplet of conduction band in a ferromagnetic CrX$_3$ monolayer, tuned to the complementary \textit{ab initio} density functional theory simulations. This model, based on a minimum number of chromium orbitals, captures a distinctively flat dispersion in those bands but requires taking into account hoppings beyond nearest neighbours, revealing ligand-mediated electron pathways connecting remote chromium sites. Doping of states in the lowest conduction band of CrX$_3$ requires charge transfer, which, according to recent studies, can occur in graphene(G)/CrX$_3$ heterostructures. Here, we use the detailed description of the lowest conduction band in CrI$_3$ to show that G/CrI$_3$/G and G/CrI$_3$ are type-II heterostructures where light holes in graphene would coexist with heavy electrons in the magnetic layer, where the latter can be characterised by Wigner parameter $r_s\sim 15-20$ (as estimated for hBN-encapsulated structures).

cond-mat.mes-hall↗

arXiv2022

Electron pairs bound by the spin-orbit interaction in 2D gated Rashba materials with two-band spectrum

We show that the bound electron pairs (BEPs) emerge in two-dimensional gated Rashba materials owing to the interplay of the pair spin-orbit interaction, produced by the Coulomb fields of interacting electrons, and the peculiarities of the band structure giving rise to a negative reduced mass of the interacting electrons. Our consideration is based on the four-band Bernevig-Hughes-Zhang model with the Rashba spin-orbit interaction created by the charges on the gate. The binding energy of the BEP varies with the gate voltage in a wide range across the entire width of the two-particle energy gap. Although the spin-orbit interaction destroys the spin quantization, the BEPs have a magnetic moment, which is created mainly by the orbital motion of the electrons and tuned by the gate voltage.

cond-mat.mes-hall↗

arXiv2015

Indirect exchange interaction between magnetic adatoms in graphene

We present a theoretical study of indirect exchange interaction between magnetic adatoms in graphene. The coupling between the adatoms to a graphene sheet is described in the framework of tunneling Hamiltonian. We account for the possibility of this coupling being of resonant character if a bound state of the adatom effectively interacts with the continuum of 2D delocalized states in graphene. In this case the indirect exchange between the adatoms mediated by the 2D carriers appears to be substantially enhanced compared to the results known from Ruderman-Kittel-Kasuya-Yosida (RKKY) theory. Moreover, unlike the results of RKKY calculations in the case of resonant exchange the magnetic coupling between the adatoms sitting over different graphene sublattices do not cancel each other. Thus, for a random distribution of the magnetic adatoms over graphene surface a non-zero magnetic interaction is expected. We also suggest an idea of controlling the magnetism by driving the tunnel coupling in and out of resonance by a gate voltage.

cond-mat.mes-hall↗

arXiv2015

Spin-dependent tunneling in semiconductor heterostructures with a magnetic layer

We present a theory that describes the appearance of circular polarization of the photoluminescence (PL) in ferromagnet-semiconductor hybrid heterostructures due to spin-dependent tunneling of photoexcited carriers from a quantum well into a magnetic layer. The theory succeeds in explaining the experimental data on time-resolved PL for heterostructures consisting of InGaAs-based quantum well (QW) and a spatially separated Mn $δ$-layer. We show that the circular polarization of the PL originates from dynamic spin polarization of electrons due to spin-dependent leakage from the QW onto Mn donor states split by the exchange field of the ferromagnetic Mn delta-layer.

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arXiv2012

Configuration interaction in delta-doped heterostructures

We analyze the tunnel coupling between an impurity state located in a $δ$-layer and the 2D delocalized states in the quantum well (QW) located at a few nanometers from the $δ$ -- layer. The problem is formulated in terms of Anderson-Fano model as configuration interaction between the carrier bound state at the impurity and the continuum of delocalized states in the QW. An effect of this interaction on the interband optical transitions in the QW is analyzed. The results are discussed regarding the series of experiments on the GaAs structures with a $δ$-Mn layer.

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