arXiv subjects

D. V. Vyalikh

Publications and source records attributed to D. V. Vyalikh.

At least 19 recordsLinked to original sources

arXiv2025

Ab initio modeling of resonant inelastic x-ray scattering from Ca2RuO4

The single-layered perovskite Ca$_2$RuO$_4$, characterized by a 4$d^4$ electron configuration, has been studied from first principles using density functional theory (DFT) using the generalized gradient approximation, with inclusion of strong on-site Coulomb interactions and spin-orbit coupling (GGA+SO+$U$), in the framework of the fully relativistic, spin-polarized Dirac linear muffin-tin orbital (LMTO) band-structure method. This approach enabled a comprehensive investigation of the electronic structure of Ca$_2$RuO$_4$ through the modeling of relevant spectra obtained from synchrotron-based techniques widely used to probe electronic properties, with a primary focus on resonant inelastic X-ray scattering (RIXS) at the Ru $L_3$ and O $K$ edges. The calculated spectra were thoroughly analyzed with available experimental data reported in the literature. The good agreement between our results and experimental observations for Ca$_2$RuO$_4$ enables a conclusive interpretation of key features in the spectra obtained from the aforementioned techniques. Consequently, this enables us to describe its electronic properties and to establish a solid theoretical approach suitable for routine modeling of spectra, particularly from RIXS, aimed at characterizing the electronic structure and properties of similar or more complex strongly correlated, technologically relevant materials.

cond-mat.str-el↗

arXiv2025

Electronic structure dimensionality of the quantum-critical ferromagnet YbNi$_4$P$_2$

YbNi$_4$P$_2$ is the first known ferromagnetic metal showing a second-order quantum phase transition. Current theoretical understanding rules out second order ferromagnetic quantum criticality in centrosymmetric 2D and 3D metals. Thus, studying the electronic structure of YbNi$_4$P$_2$ is of prime fundamental importance. Using angle-resolved photoemission spectroscopy, we experimentally prove the existence of 1D Fermi surface contours. In addition, our results demonstrate that part of the electronic structure of YbNi$_4$P$_2$ is made of states of higher dimensionality, thereby bringing into question the fact that ferromagnetic quantum criticality in centrosymmetric crystals, is exclusively found in 1D systems. Our experimental data show that the electronic structure of YbNi$_4$P$_2$ is a playground of mixed dimensionality, electron correlations, strong hybridization and spin-orbit coupling, all of them providing new insights in understanding the origin of ferromagnetic quantum criticality.

cond-mat.str-el↗

arXiv2023

Insight into the electronic structure of the centrosymmetric skyrmion magnet GdRu$_2$Si$_2$

The discovery of a square magnetic-skyrmion lattice in GdRu$_2$Si$_2$, with the smallest so far found skyrmion diameter and without a geometrically frustrated lattice, has attracted significant attention, particularly for potential applications in memory devices and quantum computing. In this work, we present a comprehensive study of surface and bulk electronic structures of GdRu$_2$Si$_2$ by utilizing momentum-resolved photoemission (ARPES) measurements and first-principles calculations. We show how the electronic structure evolves during the antiferromagnetic transition when a peculiar helical order of 4$f$ magnetic moments within the Gd layers sets in. A nice agreement of the ARPES-derived electronic structure with the calculated one has allowed us to characterize the features of the Fermi surface (FS), unveil the nested region along the $k_z$ at the corner of the 3D FS, and reveal their orbital compositions. Our findings suggest that the Ruderman-Kittel-Kasuya-Yosida interaction plays a decisive role in stabilizing the spiral-like order of Gd 4$f$ moments responsible for the skyrmion physics in GdRu$_2$Si$_2$. Our results provide a deeper understanding of electronic and magnetic properties of this material, which is crucial for predicting and developing novel skyrmion-based devices.

cond-mat.mtrl-sci↗

arXiv2021

Novel magnetic stoichiometric superconductor EuRbFe4As4

In the novel stoichiometric iron-based material RbEuFe4As4 superconductivity coexists with a peculiar long-range magnetic order of Eu 4f states; their coexistance is puzzling and represents a challenge for both experiment and theory. Using angle-resolved photoemission spectroscopy, resonant photoemission spectroscopy, Andreev reflection spectroscopy and scanning tunneling spectroscopy we have addressed this puzzle and unambigously shown that Fe- and Eu-derived states are largely decoupled and that superconducting and a long range magnetic orders exist almost independently from each other.

cond-mat.supr-con↗

arXiv2021

Exchange scaling of ultrafast angular momentum transfer in 4$\it{f}$ antiferromagnets

Ultrafast manipulation of the magnetic state of matter bears great potential for future information technologies. While demagnetisation in ferromagnets is governed by dissipation of angular momentum, materials with multiple spin sublattices, e.g. antiferromagnets, can allow direct angular momentum transfer between opposing spins, promising faster functionality. In lanthanides, 4$\it{f}$ magnetic exchange is mediated indirectly through the conduction electrons (the Ruderman-Kittel-Kasuya-Yosida interaction, RKKY), and the effect of such conditions on direct spin transfer processes is largely unexplored. Here, we investigate ultrafast magnetization dynamics in 4f antiferromagnets, and systematically vary the 4$\it{f}$ occupation, thereby altering the magnitude of RKKY. By combining time-resolved soft x-ray diffraction with ab-initio calculations, we find that the rate of direct transfer between opposing moments is directly determined by the magnitude of RKKY. Given the high sensitivity of RKKY to the conduction electrons, our results offer a novel approach for fine-tuning the speed of magnetic devices.

cond-mat.mtrl-sci↗

arXiv2020

Exceptional Dirac states in a non-centrosymmetric superconductor, BiPd

Quantum materials having Dirac fermions in conjunction with superconductivity is believed to be the candidate materials to realize exotic physics as well as advanced technology. Angle resolved photoemission spectroscopy (ARPES), a direct probe of the electronic structure, has been extensively used to study these materials. However, experiments often exhibit conflicting results on dimensionality and momentum of the Dirac Fermions (e.g. Dirac states in BiPd, a novel non-centrosymmetric superconductor), which is crucial for the determination of the symmetry, time-reversal invariant momenta and other emerging properties. Employing high-resolution ARPES at varied conditions, we demonstrated a methodology to identify the location of the Dirac node accurately and discover that the deviation from two-dimensionality of the Dirac states in BiPd proposed earlier is not a material property. These results helped to reveal the topology of the anisotropy of the Dirac states accurately. We have constructed a model Hamiltonian considering higher-order spin-orbit terms and demonstrate that this model provides an excellent description of the observed anisotropy. Intriguing features of the Dirac states in a non-centrosymmetric superconductor revealed in this study expected to have significant implication in the properties of topological superconductors.

cond-mat.supr-con↗

arXiv2020

When superconductivity does not fear magnetism: Insight into electronic structure of RbEuFe$_{4}$As$_{4}$

In the novel stoichiometric iron-based material RbEuFe$_{4}$As$_{4}$ superconductivity coexists with a peculiar long-range magnetic order of Eu 4f states. Using angle-resolved photoemission spectroscopy, we reveal a complex three dimensional electronic structure and compare it with density functional theory calculations. Multiple superconducting gaps were measured on various sheets of the Fermi surface. High resolution resonant photoemission spectroscopy reveals magnetic order of the Eu 4f states deep into the superconducting phase. Both the absolute values and the anisotropy of the superconducting gaps are remarkably similar to the sibling compound without Eu, indicating that Eu magnetism does not affect the pairing of electrons. A complete decoupling between Fe- and Eu-derived states was established from their evolution with temperature, thus unambiguously demonstrating that superconducting and a long range magnetic orders exist independently from each other. The established electronic structure of RbEuFe$_{4}$As$_{4}$ opens opportunities for the future studies of the highly unorthodox electron pairing and phase competition in this family of iron-based superconductors with doping.

cond-mat.supr-con↗

arXiv2020

Observation of a cubic Rashba effect in the surface spin structure of rare-earth ternary materials

Spin-orbit interaction and structure inversion asymmetry in combination with magnetic ordering is a promising route to novel materials with highly mobile spin-polarized carriers at the surface. Spin-resolved measurements of the photoemission current from the Si-terminated surface of the antiferromagnet TbRh2Si2 and their analysis within an ab initio one-step theory unveil an unusual triple winding of the electron spin along the fourfold-symmetric constant energy contours of the surface states. A two-band k.p model is presented that yields the triple winding as a cubic Rashba effect. The curious in-plane spin-momentum locking is remarkably robust and remains intact across a paramagnetic-antiferromagnetic transition in spite of spin-orbit interaction on Rh atoms being considerably weaker than the out-of-plane exchange field due to the Tb 4f moments.

cond-mat.mes-hall↗

arXiv2020

Deterministic control of an antiferromagnetic spin arrangement using ultrafast optical excitation

A central prospect of antiferromagnetic spintronics is to exploit magnetic properties that are unavailable with ferromagnets. However, this poses the challenge of accessing such properties for readout and control. To this end, light-induced manipulation of the transient ground state, e.g. by changing the magnetic anisotropy potential, opens promising pathways towards ultrafast deterministic control of antiferromagnetism. Here, we use this approach to trigger a $\it{coherent}$ rotation of the entire long-range antiferromagnetic spin arrangement about a crystalline axis in $GdRh_2Si_2$ and demonstrate $\it{deterministic}$ control of this rotation upon ultrafast optical excitation. Our observations can be explained by a displacive excitation of the Gd spins$'$ local anisotropy potential by the optical excitation, allowing for a full description of this transient magnetic anisotropy potential.

cond-mat.str-el↗

arXiv2019

Boron nitride monolayer growth on vicinal Ni(111) surfaces systematically studied with a curved crystal

The structural and electronic properties of hexagonal boron nitride (hBN) grown on stepped Ni surfaces are systematically investigated using a cylindrical Ni crystal as a tunable substrate. Our experiments reveal homogeneous hBN monolayer coating of the entire Ni curved surface, which in turn undergoes an overall faceting. The faceted system is defined by step-free hBN/Ni(111) terraces alternating with strongly tilted hBN/Ni(115) or hBN/Ni(110) nanostripes, depending on whether we have A-type or B-type vicinal surfaces, respectively. Such deep substrate self-organization is explained by both the rigidity of the hBN lattice and the lack of registry with Ni crystal planes in the vicinity of the (111) surface. The analysis of the electronic properties by photoemission and absorption spectroscopies reveal a weaker hBN/Ni interaction in (110)- and (115)-oriented facets, as well as an upward shift of the valence band with respect to the band position at the hBN/Ni(111) terrace.

cond-mat.mtrl-sci↗

arXiv2018

Similar temperature scale for valence changes in Kondo lattices with different Kondo temperatures

The Kondo model predicts that both the valence at low temperatures and its temperature dependence scale with the characteristic energy T_K of the Kondo interaction. Here, we study the evolution of the 4f occupancy with temperature in a series of Yb Kondo lattices using resonant X-ray emission spectroscopy. In agreement with simple theoretical models, we observe a scaling between the valence at low temperature and T_K obtained from thermodynamic measurements. In contrast, the temperature scale T_v at which the valence increases with temperature is almost the same in all investigated materials while the Kondo temperatures differ by almost four orders of magnitude. This observation is in remarkable contradiction to both naive expectation and precise theoretical predictions of the Kondo model, asking for further theoretical work in order to explain our findings. Our data exclude the presence of a quantum critical valence transition in YbRh2Si2.

cond-mat.str-el↗

arXiv2018

High-resolution resonant inelastic soft X-ray scattering as a probe of the crystal electrical field in lanthanides demonstrated for the case of CeRh2Si2

The magnetic properties of rare earth compounds are usually well captured by assuming a fully localized f shell and only considering the Hund's rule ground state multiplet split by a crystal electrical field (CEF). Currently, the standard technique for probing CEF excitations in lanthanides is inelastic neutron scattering. Here we show that with the recent leap in energy resolution, resonant inelastic soft X-ray scattering has become a serious alternative for looking at CEF excitations with some distinct advantages compared to INS. As an example we study the CEF scheme in CeRh2Si2, a system that has been intensely studied for more than two decades now but for which no consensus has been reached yet as to its CEF scheme. We used two new features that have only become available very recently in RIXS, high energy resolution of about 30 meV as well as polarization analysis in the scattered beam, to find a unique CEF description for CeRh2Si2. The result agrees well with previous INS and magnetic susceptibility measurements. Due to its strong resonant character, RIXS is applicable to very small samples, presents very high cross sections for all lanthanides, and further benefits from the very weak coupling to phonon excitation. The rapid progress in energy resolution of RIXS spectrometers is making this technique increasingly attractive for the investigation of the CEF scheme in lanthanides.

cond-mat.str-el↗

arXiv2017

Insight into the temperature dependent properties of the ferromagnetic Kondo lattice YbNiSn

Analyzing temperature dependent photoemission (PE) data of the ferromagnetic Kondo-lattice (KL) system YbNiSn in the light of the Periodic Anderson model (PAM) we show that the KL behavior is not limited to temperatures below a temperature T_K, defined empirically from resistivity and specificic heat measurements. As characteristic for weakly hybridized Ce and Yb systems, the PE spectra reveal a 4f-derived Fermi level peak, which reflects contributions from the Kondo resonance and its crystal electric field (CEF) satellites. In YbNiSn this peak has an unusual temperature dependence: With decreasing temperature a steady linear increase of intensity is observed which extends over a large interval ranging from 100 K down to 1 K without showing any peculiarities in the region of T_K ~ TC= 5.6 K. In the light of the single-impurity Anderson model (SIAM) this intensity variation reflects a linear increase of 4f occupancy with decreasing temperature, indicating an onset of Kondo screening at temperatures above 100 K. Within the PAM this phenomenon could be described by a non-Fermi liquid like T- linear damping of the self-energy which accounts phenomenologically for the feedback from the closely spaced CEF-states.

cond-mat.str-el↗

arXiv2014

Fermi-Surface Reconstruction and Complex Phase Equilibria in CaFe$_{2}$As$_{2}$

Fermi-surface topology governs the relationship between magnetism and superconductivity in iron-based materials. Using low-temperature transport, angle-resolved photoemission, and x-ray diffraction we show unambiguous evidence of large Fermi surface reconstruction in CaFe$_{2}$As$_{2}$ at magnetic spin-density-wave and nonmagnetic collapsed-tetragonal ($cT$) transitions. For the $cT$ transition, the change in the Fermi surface topology has a different character with no contribution from the hole part of the Fermi surface. In addition, the results suggest that the pressure effect in CaFe$_{2}$As$_{2}$ is mainly leading to a rigid-band-like change of the valence electronic structure. We discuss these results and their implications for magnetism and superconductivity in this material.

cond-mat.str-el↗

arXiv2013

Strong ferromagnetism at the surface of an antiferromagnet caused by buried magnetic moments

Carrying a large, pure spin magnetic moment of 7 $μ$bohr/atom in the half-filled 4f shell, divalent europium is an outstanding element for assembling novel magnetic devices in which a two-dimensional electron gas (2DEG) is polarized due to exchange interaction with an underlying magnetically-active Eu layer, even in the absence of a magnetic field. A natural example for such geometry is the intermetallic layered material EuRh$_2$Si$_2$, in which magnetically active layers of Eu are well separated from each other by non-magnetic Si-Rh-Si trilayers. Applying angle-resolved photoelectron spectroscopy (ARPES) to this system, we discovered a large spin splitting of a Shockley-type surface state formed by itinerant electrons of the Si-Rh-Si surface related trilayer. ARPES shows that the splitting sets in below approx. 32.5K and quickly saturates to around 150meV upon cooling. Interestingly, this temperature is substantially higher than the order temperature of the Eu 4f moments (approx. 24.5K) in the bulk. Our results clearly show that the magnetic exchange interaction between the surface state and the buried 4f moments in the 4th subsurface layer is the driving force for the formation of itinerant ferromagnetism at the surface. We demonstrate that the observed spin splitting of the surface state, reflecting properties of 2DEG, is easily controlled by temperature. Such a splitting may also be induced into states of functional surface layers deposited onto the surface of EuRh$_2$Si$_2$ or similarly ordered magnetic materials with metallic or semiconducting properties.

cond-mat.str-el↗

arXiv2013

Interplay of Dirac fermions and heavy quasiparticles in solids

Many-body interactions in crystalline solids can be conveniently described in terms of quasiparticles with strongly renormalized masses as compared to those of non-interacting particles. Examples of extreme mass renormalization are on the one hand graphene, where the charge carriers obey the linear dispersion relation of massless Dirac fermions, and on the other hand heavy-fermion materials where the effective electron mass approaches the mass of a proton. Here we show that both extremes, Dirac fermions like they are found in graphene and extremely-heavy quasiparticles characteristic for Kondo materials, may not only coexist in a solid but can undergo strong mutual interactions. Using the example of EuRh2Si2 we explicitly demonstrate that these interactions can take place at the surface and in the bulk. The presence of the linear dispersion is imposed solely by the crystal symmetry while the existence of heavy quasiparticles is caused by the localized nature of the 4f states.

cond-mat.str-el↗

arXiv2012

How chemical pressure affects the fundamental properties of rare-earth pnictides: an ARPES view

Angle-resolved photoelectron spectroscopy, supplemented by theoretical calculations has been applied to study the electronic structure of heavy-fermion material CeFePO, a homologue to the Fe-based high-temperature superconductors, and CeFeAs_0.7P_0.3O, where the applied chemical pressure results in a ferromagnetic order of the 4f moments. A comparative analysis reveals characteristic differences in the Fe-derived band structure for these materials, implying a rather different hybridization of valence electrons to the localized 4f orbitals. In particular, our results suggest that the ferromagnetism of Ce moments in CeFeAs_0.7P_0.3O is mediated mainly by Fe 3d_xz/yz orbitals, while the Kondo screening in CeFePO is instead due to a strong interaction of Fe 3d_3z^2-r^2 orbitals.

cond-mat.supr-con↗

arXiv2011

Evolution of magnetism in Yb(Rh_(1-x)Co_x)2Si2

We present a study of the evolution of magnetism from the quantum critical system YbRh2Si2 to the stable trivalent Yb system YbCo2Si2. Single crystals of Yb(Rh_(1-x)Co_x)2Si2 were grown for 0 < x < 1 and studied by means of magnetic susceptibility, electrical resistivity, and specific heat measurements, as well as photoemission spectroscopy. The results evidence a complex magnetic phase diagram, with a non-monotonic evolution of T_N and two successive transitions for some compositions resulting in two tricritical points. The strong similarity with the phase diagram of YbRh2Si2 under pressure indicates that Co substitution basically corresponds to the application of positive chemical pressure. Analysis of the data proves a strong reduction of the Kondo temperature T_K with increasing Co content, T_K becoming smaller than T_N for x ~ 0.5, implying a strong localization of the 4f electrons. Furthermore, low-temperature susceptibility data confirm a competition between ferromagnetic and antiferromagnetic exchange. The series Yb(Rh_(1-x)Co_x)2Si2 provides an excellent experimental opportunity to gain a deeper understanding of the magnetism at the quantum critical point in the vicinity of YbRh2Si2 where the antiferromagnetic phase disappears (T_N=>0).

cond-mat.str-el↗