arXiv subjects

Luminita Harnagea

Publications and source records attributed to Luminita Harnagea.

At least 19 recordsLinked to original sources

arXiv2026

Lattice Dynamics of LiFeAs studied by Inelastic Neutron Scattering and Density Functional Theory calculations

We investigated the lattice dynamics of the unconventional superconductor LiFeAs using inelastic neutron scattering experiments and density-functional theory (DFT) calculations. By comparing the neutron scattering intensities with lattice-dynamics simulations we can identify the polarization symmetry of all modes along the main-symmetry directions yielding a complete experimental picture of the phonon dispersion. Overall there is good agreement between the experimental and DFT results, which renders an overlooked strong electron phonon coupling unlikely. Our DFT calculations reveal only a small averaged electron-phonon coupling constant. The transversal acoustic in-plane branches exhibit a normal dispersion for small propagation vectors indicating the absence of a nematic instability. Several modes exhibit considerable hardening upon cooling that can be attributed to the anisotropic shrinking of the LiFeAs lattice.

cond-mat.supr-con↗

arXiv2025

Three prerequisites for high-temperature superconductivity in t-PtBi$_2$

Although the generic mechanism behind high-temperature superconductivity remains notoriously elusive, a set of favorable conditions for its occurrence in a given material has emerged: (i) the electronic structure should have a very high density of states near the Fermi level; (ii) electrons need to be susceptible to a sizable interaction with another degree of freedom to ensure pairing themselves; (iii) the ability to fine-tune some of the system properties significantly helps maximising the critical temperature. Here, by means of high-resolution ARPES, we show that all three criteria are remarkably fulfilled in trigonal platinum bismuthide (t-PtBi$_2$). Specifically, this happens on its surface, which hosts topological surface states known as Fermi arcs. Our findings pave the way for the stabilisation and optimisation of high-temperature superconductivity in this topological material.

cond-mat.supr-con↗

arXiv2025

Crystal field tuned spin-flip luminescence in NiPS3

Layered magnetic materials potentially hold the key to future applications based on optical control and manipulation of magnetism. NiPS3, a prototype member of this family, is antiferromagnetic below 155 K and exhibits sharp photoluminescence associated to a transition between a triplet ground state and a singlet excited state. The nature of the luminescent transition is a matter of current debate and so is an eventual fundamental link of this excitation to magnetism. Here we provide answers through experiments and calculations. We fabricate samples with metal and ligand substitutions which alter the Neel transition temperature and measure the effects of these changes on the temperature dependent photoluminescence. We perform crystal field and charge transfer multiplet calculations to explain the origin of the excitation and identify the effects of the magnetic ground state on its properties. These measurements and calculations provide a comprehensive explanation for the observed properties and a template for finding similar materials exhibiting spin-flip luminescence.

cond-mat.mtrl-sci↗

arXiv2025

Measuring superconducting arcs by ARPES

Angle-resolved photoemission spectroscopy is the leading tool for studying the symmetry and structure of the order parameter in superconductors. The recent improvement of the technique made it possible to detect the superconducting energy gap at the surface of topological t-PtBi2 via observation of the record-breaking narrow line shapes. The promising new physics uncovered requires further investigation of the spectral and gap functions of t-PtBi2, but the challenging experimental conditions severely limit the application of conventional ARPES setups. In this work, we use synchrotron-based measurements and show that the gap at the surface Fermi arc in t-PtBi2 can be detected even with more relaxed experimental conditions than in our previous laser-based studies. At the same time, using simple model of ARPES spectra, we identify the minimum requirements to detect the gap and consider cases where the gap cannot be resolved.

cond-mat.supr-con↗

arXiv2024

Ultrafast Dynamics of Coherent Phonon Modes in Excitonic Insulator Ta$_2$NiSe$_5$

The spontaneous condensation of excitons in the excitonic insulating phase has been reported in Ta$_2$NiSe$_5$ below 325 K. In this context, we present the temperature-dependent optical pump optical probe spectroscopy of Ta$_2$NiSe$_5$, with a focus on coherent phonon dynamics. In addition to the fast relaxation process involving excitonic recombination, we observe a systematic behavior for the slow relaxation process associated with the relaxation of hot phonons. The asymmetry parameter and cubic anharmonicity of the 3 THz mode demonstrate the structural transition across T$_C$=325 K, whereas the order parameter nature and asymmetry of 2 THz modes reveal its coupling with the excitonic phase of Ta$_2$NiSe$_5$. Coherent phonon modes display less anharmonicity compared to the corresponding Raman modes. Continuous Wavelet Transform (CWT) reveals that the peak time t$_{peak}$ of phonons is similar for all modes except the 3 THz mode. The temperature dependence of t$_{peak}$ for the M3 mode exhibits a possible role of excitonic condensate below T$_c$ in the formation of quasiparticle (phonon). CWT analysis supports the time-dependent asymmetry of the M3 mode caused by photoexcited carriers. This study illustrates the role of photoexcited carriers in depicting a structural transition and dressing of coherent phonons and, hence, demonstrating many-body effects.

cond-mat.mtrl-sci↗

arXiv2024

Pressure Dependence of Ultrafast Carrier Dynamics in Excitonic Insulator Ta$_2$NiSe$_5$

An excitonic insulator (EI) phase is a consequence of collective many-body effects where an optical band gap is formed by the condensation of electron-hole pairs or excitons. We report pressure-dependent optical pump optical probe spectroscopy of EI Ta$_2$NiSe$_5$ in an on-site in situ geometry. The fast relaxation process depicts the transition across P$_{C_1}$ $\sim$1 GPa from EI phase to a semiconductor and P$_{C_2}$ $\sim$3 GPa from a semiconductor to a semimetallic phase. The instability of the EI phase beyond P$_{C_1}$ is captured by the Rothwarf-Taylor model by incorporating the decrease of the bandgap under pressure. The pressure coefficient of the bandgap decreases, 65 meV/GPa closely agrees with the first principle calculations.

cond-mat.mtrl-sci↗

arXiv2024

Atypical antiferromagnetic ordering in single crystalline quasi-2D honeycomb magnet YbI$_3$

Here, we study YbI$_3$, a quasi-2D layered material with Yb atoms arranged on an ideal honeycomb network of edge-sharing YbI$_6$ octahedra, analogous to the low-temperature phase of $α-$RuCl$_3$. High quality single crystals of YbI$_3$ are grown from Yb and I as starting precursors, using the vapor transport technique. The grown crystals are characterized by single crystal x-ray diffraction, Raman spectroscopy, magnetization, and heat capacity probes. The crystal-field split ground state of Yb$^{3+}$ in \Yb~ is a well-isolated Kramers doublet with an effective moment $\rm J_{eff} = 1/2$. Upon cooling, the low-temperature heat capacity of \Yb~ reveals a broad peak at $\rm T_1 = 0.95$~K due to short-range ordering of the Yb moments, followed by a sharp peak at $\rm T_2 = T_N = 0.6$~K due to long-range ordering. The magnetic behavior is found to be weakly anisotropic with $χ^\parallel > χ^\perp$, where $χ^\parallel$ and $χ^\perp$ refers to the in-plane ($H \parallel ab$) and out-of-plane ($H \perp ab$) susceptibilities. The 2~K isothermal magnetization saturates at $\rm \approx~1.5~μ_B/Yb^{3+}$ (in-plane) and $\rm \approx~1~μ_B/Yb^{3+}$ (out-of-plane), suggesting the anisotropy to be easy-plane type. Low-temperature heat capacity, well below T$_N$, is found to vary as T$^α$ with $α~\approx~2.5$, indicating a possible unconventional magnetic ground state for YbI$_3$.

cond-mat.str-el↗

arXiv2023

Optically induced symmetry breaking due to nonequilibrium steady state formation in charge density wave material 1T-TiSe2

The strongly correlated charge density wave (CDW) phase of 1T-TiSe$_2$ is being extensively researched to verify the claims of a unique chiral order due to the presence of three equivalent Fermi wavevectors involved in the CDW formation. Characterization of the symmetries is therefore critical to understand the origin of their intriguing properties but can be complicated by the coupling of the electronic and lattice degrees of freedom. Here we use continuous wave laser excitation to probe the symmetries of TiSe$_2$ using the circular photogalvanic effect with very high sensitivity. We observe that the ground state of the CDW phase is achiral. However, laser excitation above a threshold intensity transforms TiSe$_2$ into a chiral phase in a nonequilibrium steady state, which changes the electronic correlations in the stacking direction of the layered material. The inherent sensitivity of the photogalvanic technique provides clear evidence of the different optically driven phases of 1T-TiSe$_2$, as well as emphasizes the interplay of electronic and lattice degrees of freedom in this system under optical excitation. Our work demonstrates that optically induced phase change can occur at extremely low optical intensities in strongly correlated materials, providing a pathway for future studies to engineer new phases using light.

cond-mat.str-el↗

arXiv2023

Evidence of Charge-Phonon coupling in Van der Waals materials Ni1-xZnxPS3

NiPS3 is a Van der Waals antiferromagnet that has been found to display spin-charge and spin-phonon coupling in its antiferromagnetically ordered state below TN = 155 K. Here, we study high-quality crystals of site-diluted Ni1-xZnxPS3 (0 < x < 0.2) using temperature-dependent specific heat and Raman spectroscopy probes. The site dilution suppresses the antiferromagnetic ordering in accordance with the mean-field prediction. In NiPS3, we show that the phonon mode P2 (176 cm-1) associated with Ni vibrations show a distinct asymmetry due to the Fano resonance, which persists only in the paramagnetic phase, disappearing below T_N = 155 K. This was further supported by temperature-dependent Raman data on an 8% Zn-doped crystal (T_N = 135 K) where Fano resonance similarly van in the magnetically ordered phase. This is contrary to the behaviour of the Raman mode P9 (570 cm-1), which shows a Fano resonance at low temperatures below T_N due to its coupling with the two-magnon continuum. We show that the Fano resonance of P2 arises from its coupling with an electronic continuum that weakens considerably upon cooling to low temperatures. In the doped crystals, the Fano coupling is found to enhance with Zn-doping. These observations suggest the presence of strong electron-phonon coupling in the paramagnetic phase of NiPS3 due to charge density fluctuations associated with the negative charge transfer state of Ni.

cond-mat.str-el↗

arXiv2023

Tuning the magnetic properties in MPS3 (M = Mn, Fe, and Ni) by proximity-induced Dzyaloshinskii Moriya interactions

Tailoring the quantum many-body interactions in layered materials through appropriate heterostructure engineering can result in emergent properties that are absent in the constituent materials thus promising potential future applications. In this article, we have demonstrated controlling the otherwise robust magnetic properties of transition metal phosphorus trisulphides (Mn/Fe/NiPS3) in their heterostructures with Weyl semimetallic MoTe2 which can be attributed to the Dzyaloshinskii Moriya (DM) interactions at the interface of the two different layered materials. While the DM interaction is known to scale with the strength of the spin-orbit coupling (SOC), we also demonstrate here that the effect of DM interaction strongly varies with the spin orientation/dimensionality of the magnetic layer and the low-energy electronic density of state of the spin-orbit coupled layer. The observations are further supported by a series of experiments on heterostructures with a variety of substrates/underlayers hosting variable SOC and electronic density of states.

cond-mat.mes-hall↗

arXiv2021

Imaging the coherent propagation of collective modes in the excitonic insulator candidate Ta$_2$NiSe$_5$ at room temperature

Excitonic insulators host a condensate of electron-hole pairs at equilibrium, giving rise to collective many-body effects. Although several materials have emerged as excitonic insulator candidates, evidence of long-range coherence is lacking and the origin of the ordered phase in these systems remains controversial. Here, using ultrafast pump-probe microscopy, we investigate the possible excitonic insulator Ta$_2$NiSe$_5$. Below 328 K, we observe the anomalous micrometer-scale propagation of coherent modes at velocities of the order of $\sim10^5$ m/s, which we attribute to the hybridization between phonon modes and the phase mode of the condensate. We develop a theoretical framework to support this explanation and propose that electronic interactions provide a significant contribution to the ordered phase in Ta$_2$NiSe$_5$. These results allow us to understand how the condensate's collective modes transport energy and interact with other degrees of freedom. Our study provides a unique paradigm for the investigation and manipulation of these properties in strongly correlated materials.

cond-mat.str-el↗

arXiv2021

Pressure-induced 1T to 3R structural phase transition in metallic VSe2: X-ray diffraction and first-principles theory

We study pressure-induced structural evolution of vanadium diselenide (VSe2), a 1T polymorphic member of the transition metal di-chalcogenide (TMD) family using synchrotron-based powder X-ray diffraction (PXRD) and first-principles density functional theory (DFT). Our XRD results reveal anomalies at P ~4 GPa in c/a ratio, V-Se bond length and Se-V-Se bond angle signalling an isostructural transition. This is followed by a first order structural transition from 1T (space group P-3m1) phase to a 3R (space group R-3m) phase at P ~11 GPa due to sliding of adjacent Se-V-Se layers. We present various scenarios to understand the experimental results within DFT and find that the 1T to 3R transition can be captured only after inclusion of enthalpic correction associated with errors in cell volume with underestimated transition pressure. The abrupt increase in the Debye-Waller factors of Se atoms by a factor of ~4 and hence the anharmonic effects across the structural transition pressure are hitherto not reported so far and hint a possible way to understand the mismatch between the experimental and theoretical transition pressure values.

cond-mat.mtrl-sci↗

arXiv2021

Fermi surface tomography

Fermi surfaces, three-dimensional (3D) abstract interfaces that define the occupied energies of electrons in a solid, are important for characterizing and predicting the thermal, electrical, magnetic, and optical properties of crystalline metals and semiconductors [1]. Angle-resolved photoemission spectroscopy (ARPES) is the only technique directly probing the Fermi surface by measuring the Fermi momenta (kF) from energy and angular distribution of photoelectrons dislodged by monochromatic light [2]. Existing electron analyzers are able to determine a number of kF-vectors simultaneously, but current technical limitations prohibit a direct high-resolution 3D Fermi surface mapping. As a result, no such datasets exist, strongly limiting our knowledge about the Fermi surfaces and restricting a detailed comparison with the widely available nowadays calculated 3D Fermi surfaces. Here we show that using a simpler instrumentation, based on the Fourier electron optics combined with a retardation field of the detector, it is possible to perform 3D-mapping within a very short time interval and with very high resolution. We present the first detailed experimental 3D Fermi surface recorded in the full Brillouin zone along the kz-direction as well as other experimental results featuring multiple advantages of our technique. In combination with various light sources, including synchrotron radiation, our methodology and instrumentation offer new opportunities for high-resolution ARPES in the physical and life sciences.

cond-mat.mtrl-sci↗

arXiv2021

Perturbation of charge density waves in 1T-TiSe$_2$

In this study, using low-temperature scanning tunneling microscopy (STM), we focus on understanding the native defects in pristine \textit{1T}-TiSe$_2$ at the atomic scale. We probe how they perturb the charge density waves (CDWs) and lead to local domain formation. These defects influence the correlation length of CDWs. We establish a connection between suppression of CDWs, Ti intercalation, and show how this supports the exciton condensation model of CDW formation in \textit{1T}-TiSe$_2$.

cond-mat.mtrl-sci↗

arXiv2020

Experimental Evidence of Stable 2$H$ Phase on the Surface of Layered 1$T'$-TaTe$_2$

We report on the low-energy electronic structure of Tantalum ditelluride (1$T'$-TaTe$_2$), one of the charge density wave (CDW) materials from the group V transition metal dichalcogenides using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT). We find that the Fermi surface topology of TaTe$_2$ is quite complicated compared to its isovalent compounds such as TaS$_2$, TaSe$_2$, and isostructural compound NbTe$_2$. More importantly, we discover that the surface electronic structure of 1$T'$-TaTe$_2$ has more resemblance to the 2$H$-TaTe$_2$, while the bulk electronic structure has more resemblance to the hypothetical 1$T$-TaTe$_2$. These experimental observations are thoroughly compared with our DFT calculations performed on 1$T$-, 2$H$- and 2$H$ (monolayer)/1$T$- TaTe$_2$. We further notice that the Fermi surface topology is temperature independent up to 180 K, confirming that the 2$H$ phase on the surface is stable up to 180 K and the CDW order is not due to the Fermi surface nesting.

cond-mat.mtrl-sci↗

arXiv2019

Metal-chalcogen bond-length induced electronic phase transition from semiconductor to topological semimetal in ZrX$_2$ (X = Se and Te)

Using angle resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations we studied the low-energy electronic structure of bulk ZrTe$_2$. ARPES studies on ZrTe$_2$ demonstrate free charge carriers at the Fermi level, which is further confirmed by the DFT calculations. An equal number of hole and electron carrier density estimated from the ARPES data, points ZrTe$_2$ to a semimetal. The DFT calculations further suggest a band inversion between Te $p$ and Zr $d$ states at the $Γ$ point, hinting at the non-trivial band topology in ZrTe$_2$. Thus, our studies for the first time unambiguously demonstrate that ZrTe$_2$ is a topological semimetal. Also, a comparative band structure study is done on ZrSe$_2$ which shows a semiconducting nature of the electronic structure with an indirect band gap of 0.9 eV between $Γ(A) $ and $M (L)$ high symmetry points. In the below we show that the metal-chalcogen bond-length plays a critical role in the electronic phase transition from semiconductor to a topological semimetal ingoing from ZrSe$_2$ to ZrTe$_2$.

cond-mat.mtrl-sci↗

arXiv2018

Magnetotransport studies of optimally doped Sr(Fe${_{1-x}}$Co${_x}$)${_2}$As${_2}$

We report magnetotransport measurements and its scaling analysis for the optimally electron doped Sr(Fe${_{0.88}}$Co${_{0.12}}$)${_2}$As${_2}$ system. We pbserve that both the Kohler's and modified Kohler's scalings are violated. Interestingly, the Hall angle displays a quadratic temperature dependence similar to many cuprates and heavy fermion systems. The fact that this temperature dependence is seen in spite of the violation of modified Kohler's scaling suggests that the Hall angle and the magnetoresistance are not governed by the same scattering mechanism. We also observe a linear magnetoresistance in this system, which does not harbor a spin density wave ground state. Implcations of our observations are discussed in the context of spin fluctuations in strongly correlated electron systems.

cond-mat.supr-con↗

arXiv2018

Coupled magnetic and ferroelectric states in the distorted honeycomb system Fe$_{4}$Ta$_{2}$O$_{9}$

We report on the magnetic, thermodynamic, dielectric, and pyroelectric measurements on the hitherto unreported Fe${_4}$Ta${_2}$O${_9}$. This system is seen to exhibit a series of magnetic transitions, many of which are coupled to the emergence of ferroelectric order, making Fe${_4}$Ta${_2}$O${_9}$ the only genuine multiferroic in its material class. We suggest that the observed properties arise as a consequence of an effective reduction in the dimensionality of the magnetic lattice, with the magnetically active Fe${^{2+}}$ ions preferentially occupying a quasi 2D buckled honeycomb structure. The low temperature $H$-$T$ phase diagram of Fe${_4}$Ta${_2}$O${_9}$ reveals a rich variety of coupled magnetic and ferroelectric phases, in similarity with that observed in the distorted Kagome systems.

cond-mat.str-el↗