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Kartik Samanta

Publications and source records attributed to Kartik Samanta.

15 recordsLinked to original sources

Cocktail effect and robust Berry curvature driven anomalous Hall conductivity in the entropy-stabilized Heusler alloy Co$_2$(Ti$_{0.25}$V$_{0.25}$Cr$_{0.25}$Fe$_{0.25}$)Al

The interplay between chemical disorder and persistence of Berry curvature driven transport phenomena remains an important open question in entropy-stabilized systems. Here, we synthesize an entropy-stabilized Heusler alloy Co$_2$(Ti$_{0.25}$V$_{0.25}$Cr$_{0.25}$Fe$_{0.25}$)Al and systematically investigate its structural, magnetic, and magnetotransport properties using a combination of experimental measurements and density functional theory (DFT) calculations. The system crystallizes in cubic space group $Fm\Bar{3}m$ and exhibits ferromagnetism with saturation magnetization in close agreement with the Slater--Pauling prediction. Transport and magnetotransport measurements reveal metallic behavior and a pronounced anomalous Hall effect with an anomalous Hall conductivity of approximately $134.4~ \Omega^{-1}$.cm$^{-1}$. Combined experimental observations and first-principles calculations establish that the anomalous Hall effect is predominantly intrinsic in origin and originates from the Berry curvature of the electronic bands. Remarkably, despite the substantial configurational disorder and the dilution of the constituent parent compounds, the anomalous Hall conductivity remains comparable to the largest values reported in the corresponding parent Heusler systems. This behavior reflects the manifestation of the cocktail effect, one of the core characteristics of entropy-stabilized systems. Our results also demonstrate that Berry curvature mediated transport persists in this chemically disordered system and indicates that entropy engineering can be a promising route for tuning intrinsic anomalous Hall responses.

cond-mat.mtrl-sci

Two-dimensional antiferromagnets with non-relativistic spin splitting switchable by electric polarization

Spin-split antiferromagnets have significance for antiferromagnetic (AFM) spintronics due to their momentum dependent spin polarization which can be exploited for the control and detection of the AFM order parameter. Here, we explore the polar-layer stacking of AFM-ordered bilayers driving the emergence of reversable electric polarization and non-relativistic spin splitting (NRSS) of their band structure. Based on the spin-space group approach, we identify several representative two-dimensional AFM materials which exhibit different types of NRSS when stacked into a polar bilayer. We demonstrate that NRSS can have both altermagnetic and non-altermagnetic origins and elucidate symmetry requirements for NRSS to be switchable by electric polarization. We argue that the electric polarization switching of NRSS in polar AFM bilayers may be more practical for device applications than the current-induced N\'eel vector switching.

cond-mat.mtrl-sci

Prediction of polarization vortices, charge modulation, flat bands, and moir\'e magnetism in twisted oxide bilayers

The recent surge of interest in moir\'e superlattices of twisted van der Waals compounds has spotlighted the emergence of unconventional superconductivity and novel electronic phases. However, the range of moir\'e phenomena can be dramatically expanded by incorporating complex oxide materials into twisted heterostructures. In this study, motivated by the recent breakthroughs in synthesis of free-standing oxide membranes, we explore the emergent structural and electronic properties of twisted oxide bilayers. We focus on the classic perovskite oxide, SrTiO3, and design SrTiO3 bilayers with a relative twist between the individual layers. Using density functional theory calculations, we predict the appearance of vortex-antivortex polarization patterns at the interface of the SrTiO3 bilayers driven by twist. We also predict charge modulation of the interfacial Ti ions induced by varying local coordination which follow the moir\'e pattern. Furthermore, we forecast the emergence of flat bands at large twist angles and the associated localized electronic states with moir\'e-periodic charge density, originating from the interlayer bonding effects resulting in the formation of dangling bonds. Finally, we predict that hole doping induces unconventional d0 magnetism in otherwise nonmagnetic SrTiO3, driven by the exchange splitting of the high-density O-p bands and producing the spin density with moir\'e periodicity. These results demonstrate a broad landscape of emergent phenomena which may occur in moir\'e-engineered oxide heterostructures showing far-reaching perspectives of these material systems for further fundamental studies and potential applications.

cond-mat.mtrl-sci

Anomalous Hall and Nernst effect switching via staggered rotation in a kagome antiferromagnetic semimetal

The intricate interplay between magnetism and the topology of electronic structures provides a rich avenue for tailoring materials with unique and potent anomalous transport properties. In this paper, we present a strategy for inducing robust Berry curvature and anomalous transverse conductivity in noncollinear antiferromagnets through an unconventional approach termed ``small \textit{staggered rotation} of spin". Considering noncollinear Mn$_3$Sn, we demonstrate that the positive vector chirality antiferromagnetic configuration, typically associated with a vanishing anomalous Hall effect and Nernst effect, can be manipulated to exhibit finite anomalous Hall conductivity (AHC) and anomalous Nernst conductivity (ANC) through \textit{staggered rotation}. Furthermore, we illustrate that the value and sign of both the AHC and ANC can be tuned through \textit{staggered rotation}. This tuning is intricately influenced by the spin-orbit coupling (SOC) induced gapped nodal line, revealing the critical role of electronic structure modifications in achieving precise control over transport properties.

cond-mat.mtrl-sci

Spin filtering with insulating altermagnets

Altermagnetic (AM) materials have recently attracted significant interest due to the non-relativistic momentum-dependent spin splitting of their electronic band structure which may be useful for antiferromagnetic (AFM) spintronics. So far, however, most research studies have been focused on AM metals which can be utilized in spintronic devices, such as AFM tunnel junctions (AFMTJs). At the same time, AM insulators have remained largely unexplored in the realm of AFM spintronics. Here, we propose to employ AM insulators (AMIs) as efficient spin-filter materials. By analyzing the complex band structure of rutile-type altermagnets $MF_2$ ($M$ = $Fe, Co, Ni$), we demonstrate that the evanescent states in these AMIs exhibit spin- and momentum-dependent decay rates resulting in a substantial momentum-dependent spin polarization of the tunneling current. Using a model of spin-filter tunneling across a spin-dependent potential barrier, we estimate the TMR effect in spin-filter magnetic tunnel junctions (SF-MTJs) that include two magnetically decoupled $MF_2$ (001) barrier layers. We predict a sizable spin-filter TMR ratio of about 150-170% in SF-MTJs based on AMIs $CoF_2$ and $NiF_2$ if the Fermi energy is tuned to be close to the valence band maximum. Our results demonstrate that AMIs provide a viable alternative to conventional ferromagnetic or ferrimagnetic spin-filter materials, potentially advancing the development of next-generation AFM spintronic devices.

cond-mat.mtrl-sci

Two-dimensional non-volatile valley spin valve

A spin valve represents a well-established device concept in magnetic memory technologies, whose functionality is determined by electron transmission being controlled by the relative alignment of magnetic moments of the two ferromagnetic layers. Recently, the advent of valleytronics has conceptualized a valley spin valve (VSV) - a device that utilizes the valley degree of freedom and spin-valley locking to achieve a similar valve effect without relying on magnetism. In this study, we propose a non-volatile VSV (n-VSV) based on a two-dimensional (2D) ferroelectric semiconductor where the resistance of the n-VSV is controlled by the ferroelectric domain wall between the two uniformly polarized domains. Focusing on the 1T'' phase of MoS2, which is known to be ferroelectric down to a monolayer and using density functional theory (DFT) combined with the quantum-transport calculations, we demonstrate that switching between the uniformly polarized state and the state with oppositely polarized domains separated by a domain wall results in resistance change of as high as 10^7. This giant VSV effect occurs due to transmission being strongly dependent on matching (mismatching) the valley-dependent spin polarizations in the two domains with the same (opposite) ferroelectric polarization orientations, when the chemical potential of 1T''-MoS2 lies within the spin-split valleys. Our work paves a new route for realizing high-performance nonvolatile valleytronics.

cond-mat.mtrl-sci

Antiferroelectric Hafnia Down to the 2D Limit

Antiferroelectricity is a material property characterized by alternating electric dipoles spontaneously ordered in antiparallel directions. Antiferroelectrics are promising for energy storage, solid-state cooling, and memory technologies; however, these materials are scarce, and their scalability remains largely unexplored. In this work, we demonstrate that single-crystalline hafnia, a lead-free CMOS-compatible material, exhibits antiferroelectricity under compressive-strain conditions. We observe antiparallel sublattice polarization and stable double-hysteresis in single-crystalline (111)-oriented epitaxial La-doped hafnia films grown on yttrium-stabilized zirconia and show that the antipolar orthorhombic phase of hafnia adheres to the Kittel model of antiferroelectricity. Notably, compressive strain strengthens the antiferroelectric order in thinner La-doped hafnia films, achieving an unprecedented 850 C ordering temperature in the two-dimensional limit, highlighting hafnia's potential for advanced antiferroelectric devices.

cond-mat.mtrl-sci

Symmetry-controlled SrRuO3/SrTiO3/SrRuO3 magnetic tunnel junctions:Spin polarization and its relevance to tunneling magnetoresistance

Magnetic tunnel junctions (MTJs), that consist of two ferromagnetic electrodes separated by an insulating barrier layer, have non-trivial fundamental properties associated with spin-dependent tunneling. Especially interesting are fully crystalline MTJs where spin-dependent tunneling is controlled by the symmetry group of wave vector. In this work, using first-principles quantum-transport calculations, we explore spin-dependent tunneling in fully crystalline SrRuO3/SrTiO3/SrRuO3 (001) MTJs and predict tunneling magnetoresistance (TMR) of nearly 3000%. We demonstrate that this giant TMR effect is driven by symmetry matching (mismatching) of the incoming and outcoming Bloch states in the SrRuO3 (001) electrodes and evanescent states in the SrTiO3 (001) barrier. We argue that under the conditions of symmetry-controlled transport, spin polarization, whatever definition is used, is not a relevant measure of spin-dependent tunneling. In the presence of diffuse scattering, however, e.g. due to localized states in the band gap of the tunnel barrier, symmetry matching is no longer valid and TMR in SrRuO3/SrTiO3/SrRuO3 (001) MTJs is strongly reduced. Under these conditions, the spin polarization of the interface transmission function becomes a valid measure of TMR. These results provide an important insight into understanding and optimizing TMR in all-oxide MTJs.

cond-mat.mtrl-sci

Tunneling magnetoresistance in magnetic tunnel junctions with a single ferromagnetic electrode

Magnetic tunnel junctions (MTJs) are key components of spintronic devices, such as magnetic random-access memories. Normally, MTJs consist of two ferromagnetic (FM) electrodes separated by an insulating barrier layer. Their key functional property is tunneling magnetoresistance (TMR) that is a change in MTJ's resistance when magnetization of the two electrodes alters from parallel to antiparallel. Here, we demonstrate that TMR can occur in MTJs with a single FM electrode, provided that the counter electrode is an antiferromagnetic (AFM) metal that supports a spin-split band structure and/or a N\'eel spin current. Using RuO$_{2}$ as a representative example of such antiferromagnet and CrO$_{2}$ as a FM metal, we design all-rutile RuO$_{2}$/TiO$_{2}$/CrO$_{2}$ MTJs to reveal a non-vanishing TMR. Our first-principles calculations predict that magnetization reversal in CrO$_{2}$ significantly changes conductance of the MTJs stacked in the (110) or (001) planes. The predicted giant TMR effect of about 1000% in the (110) oriented MTJs stems from spin-dependent conduction channels in CrO$_{2}$ (110) and RuO$_{2}$ (110), whose matching alters with CrO$_{2}$ magnetization orientation, while TMR in the (001) oriented MTJs originates from the N\'eel spin currents and different effective TiO$_{2}$ barrier thickness for the two magnetic sublattices that can be engineered by the alternating deposition of TiO$_{2}$ and CrO$_{2}$ monolayers. Our results demonstrate a possibility of a sizable TMR in MTJs with a single FM electrode and offer a practical test for using the altermagnet RuO$_{2}$ in functional spintronic devices.

cond-mat.mtrl-sci

Prediction of Giant Tunneling Magnetoresistance in RuO$_{2}$/TiO$_{2}$/RuO$_{2}$ (110) Antiferromagnetic Tunnel Junctions

Using first-principles quantum-transport calculations, we investigate spin-dependent electronic and transport properties of antiferromagnetic tunnel junctions (AFMTJs) that consist of (110)-oriented antiferromagnetic (AFM) metal RuO$_{2}$ electrodes and an insulating TiO$_{2}$ tunneling barrier. We predict the emergence of a giant tunneling magnetoresistance (TMR) effect in a wide energy window, a series of barrier layer thicknesses, and different interface terminations, indicating the robustness of this effect. We show that the predicted TMR cannot be explained in terms of the global transport spin-polarization of RuO$_{2}$ (110) but is well understood based on matching the momentum-dependent spin-polarized conduction channels of the two RuO$_{2}$ (110) electrodes. We predict oscillations of TMR with increasing barrier thickness, indicating a non-negligible contribution from the perfectly epitaxial interfaces. Our work helps the understanding of the physics of TMR in AFMTJs and aids in realizing efficient AFM spintronic devices.

cond-mat.mtrl-sci

Large anomalous Hall, Nernst effect and topological phases in the 3d-4d/5d based oxide double perovskites

Magnetic topological quantum materials are attracting considerable attention owing to their potential technological applications. However, only a small number of these materials have been experimentally realized, thereby giving rise to the need for new stable magnetic topological quantum materials. Magnetism and spin-orbit coupling, two essential ingredients of the oxide materials, lead to various topological transport phenomena such as the anomalous Hall and anomalous Nernst effects, which can be significantly enhanced by designing an electronic structure with a large Berry curvature. In that respect, double perovskites with the general formula A$_2$BB'O$_6$ with an alternating ordered arrangement of two transition metal sites, B(3d) and B'(4d/5d), present attractive possibilities as they are robustly stable against oxidation under ambient conditions and versatile. These double perovskites also offer a high energy scale for magnetism as well as strong spin-orbit coupling with a high magnetic ordering temperature. Here, using first-principles density functional theory calculations, we present a comprehensive study of the intrinsic anomalous transport for 3d-4d/5d based cubic and tetragonal stable double perovskite (DP) compounds. A few of the DPs exhibit a very large anomalous Hall effect with a distinct topological band crossing in the vicinity of the Fermi energy. Our results show the importance of symmetries, particularly the mirror planes, as well as the clean topological band crossing near the Fermi energy, which is primarily contributed by the 5d-t$_{2g}$ for large anomalous Hall and Nernst effects.

cond-mat.mtrl-sci

Berry curvature induced anomalous Hall conductivity in magnetic topological oxide double perovskite Sr2FeMoO6

Oxide materials exhibit several novel structural, magnetic, and electronic properties. Their stability under ambient conditions, easy synthesis, and high transition temperatures provide such systems with an ideal ground for realizing topological properties and real-life technological applications. However, experimental evidence of topological states in oxide materials is rare. In this study, we have synthesized single crystals of oxide double perovskite Sr2FeMoO6 and revealed its topological nature by investigating its structural, magnetic, and electronic properties. We observed that the system crystallized in the cubic space group Fm-3m, which is a half-metallic ferromagnet. Transport measurements show an anomalous Hall effect, and it is evident that the Hall contribution originates from the Berry curvature. Assuming a shift of the Fermi energy towards the conduction band, the contribution of the anomalous Hall effect is enhanced owing to the presence of a gaped nodal line. This study can be used to explore and realize the topological properties of bulk oxide systems.

cond-mat.mtrl-sci

Vector Chirality $\kappa$ Driven Topological Phase Transition and the Associated Anomalous Hall Conductivity Tuning in a Non-Collinear Antiferromagnet

Based on the first-principles electronic structure calculations and subsequent symmetry adapted effective low-energy $\textbf{k.p}$ theory, we show the switching of the vector chirality, $\kappa$, in a noncollinear antiferromagnet (AFM), Mn$_3$Sn, as an unconventional route to topological phase transition from a nodal-ring to a Weyl point semimetal. Specifically, we find that the switching of $\kappa$ leads to gaping out an elliptic nodal-ring everywhere at the Fermi-level except for a pair of points on the ring. As a consequence, the topological phase transition switches the anomalous Hall conductivity (AHC) from zero to a giant value. Furthermore, we theoretically demonstrate how the controlled manipulation of the chiral AFM order keeping $\kappa$ unaltered favors unusual rotation of Weyl-points on the ring. This in turn enables us to tune in-plane components of the AHC by a collective uniform rotations of spins in the AFM unit cell.

cond-mat.mtrl-sci

Tailoring the anomalous Hall effect of SrRuO$_3$ thin films by strain: a first principles study

Motivated by the recently observed unconventional Hall effect in ultra-thin films of ferromagnetic SrRuO$_3$ (SRO) we investigate the effect of strain-induced oxygen octahedral distortion in the electronic structure and anomalous Hall response of the SRO ultra-thin films by virtue of density functional theory calculations. Our findings reveal that the ferromagnetic SRO films grown on SrTiO$_3$ (in-plane strain of $-$0.47$\%$) have an orthorhombic (both tilting and rotation) distorted structure and with an increasing amount of substrate-induced compressive strain the octahedral tilting angle is found to be suppressed gradually, with SRO films grown on NdGaO$_3$ (in-plane strain of $-$1.7$\%$) stabilized in the tetragonal distorted structure (with zero tilting). Our Berry curvature calculations predict a positive value of the anomalous Hall conductivity of $+$76\,S/cm at $-$1.7$\%$ strain, whereas it is found to be negative ($-$156\,S/cm) at $-$0.47$\%$ strain. We attribute the found behavior of the anomalous Hall effect to the nodal point dynamics in the electronic structure arising in response to tailoring the oxygen octahedral distortion driven by the substrate-induced strain. We also calculate strain-mediated anomalous Hall conductivity as a function of reduced magnetization obtained by scaling down the magnitude of the exchange field inside Ru atoms finding good qualitative agreement with experimental observations, which indicates a strong impact of longitudinal thermal fluctuations of Ru spin moments on the anomalous Hall effect in this system.

cond-mat.mtrl-sci

Origin of anomalous breakdown of Bloch's rule in the Mott-Hubbard insulator MnTe$_2$

We reinvestigate the pressure dependence of the crystal structure and antiferromagnetic phase transition in MnTe$_2$ by the rigorous and reliable tool of high pressure neutron powder diffraction. First-principles density functional theory calculations are carried out in order to gain microscopic insight. The measured Néel temperature of MnTe$_2$ is found to show unusually large pressure dependence of $12$ K GPa$^{-1}$. This gives rise to large violation of Bloch's rule given by $α=\frac{d\log T_N}{d\log V}=-\frac{10}{3} \approx -3.3$, to a $α$ value of -6.0 $\pm$ 0.1 for MnTe$_2$. The ab-initio calculation of the electronic structure and the magnetic exchange interactions in MnTe$_2$, for the measured crystal structures at different pressures, gives the pressure dependence of the Neél temperature, $α$ to be -5.61, in close agreement with experimental finding. The microscopic origin of this behavior turns to be dictated by the distance dependence of the cation-anion hopping interaction strength.

cond-mat.str-el