Ajit Kumar Jena

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• Doctor of Philosophy
• Researcher at Indo Korea Science and Technology

Topological materials have attracted significant interest in condensed matter physics for their unique topological properties leading to potential technological applications. Topological nodal line semimetals, a subclass of topological materials, exhibit symmetry-protected nodal lines, where band crossings occur along closed curves in the three-dim...

MXenes are a promising class of two‐dimensional transition metal carbides, nitrides, and carbonitrides, widely utilized in diverse fields such as energy storage, electromagnetic shielding, electrocatalysis, and sensing applications. Their potential in chemical sensing is particularly noteworthy, where optimizing surface chemistry for strong interac...

Spin gapless semiconductors exhibit a finite band gap for one spin channel and a closed gap for another spin channel, and they have emerged as a new state of magnetic materials with a great potential for spintronic applications. The first experimental evidence for spin gapless semiconducting behavior was observed in an inverse Heusler compound Mn2C...

Spin gapless semiconductors exhibit a finite band gap for one spin channel and closed gap for other spin channel, emerged as a new state of magnetic materials with a great potential for spintronic applications. The first experimental evidence for the spin gapless semiconducting behavior was observed in an inverse Heusler compound Mn2CoAl. Here, we...

Promising optoelectronic properties of semiconducting copper nitride (Cu3N), have brought the material into limelight for numerous device applications. As band gap (Eg), undoubtedly is a key parameter in determining proficiency of a semiconductor in optoelectronics, hence its modulation needs clear understanding both from the fundamental and applic...

Identifying the existence of specific functional groups in MXenes is a difficult topic that has perplexed researchers for a long time. We show in this paper that in the case of magnetic MXenes, the magneto-transport properties of the material provide an easy solution. One of the fascinating properties that MXenes offer is the realization of intrins...

Magnetic skyrmions are vortex-like spin textures, which can be manipulated by external stress or pressure via magnetoelastic effects. Here, we present the observation of isostructural phase transition in a biskyrmions host hexagonal MnNiGa at pressure P~ 4 GPa using pressure-dependent synchrotron x-ray powder diffraction (XRD) data analysis. Our XR...

Magnetic skyrmions are vortex-like spin textures, which can be manipulated by external stress or pressure via magnetoelastic effects. Here, we present the observation of isostructural phase transition in a biskyrmion host hexagonal MnNiGa at a pressure around 4 GPa using pressure-dependent synchrotron x-ray powder diffraction (XRD) data analysis. O...

Magnetic skyrmions are vortex‐like spin textures, which can be manipulated by external stress or pressure via magnetoelastic effects. Here, we present the observation of isostructural phase transition in a biskyrmions host hexagonal MnNiGa at pressure P∽ 4 GPa using pressure‐dependent synchrotron x‐ray powder diffraction (XRD) data analysis. Our XR...

Co2-based Heusler compounds are promising materials for spintronics applications due to their high Curie temperature, large spin polarization, large magnetization density, and exotic transport properties. In the present paper, we report the anomalous Hall effect (AHE) in a polycrystalline Co2FeAl Heusler compound using combined experimental and the...

Co2-based Heusler compounds are the promising materials for the spintronics application due to their high Curie temperature, large spin-polarization, large magnetization density, and exotic transport properties. In the present manuscript, we report the anomalous Hall effect (AHE) in a polycrystalline Co2FeAl Heusler compound using combined experime...

We investigate the effect of electron-phonon interaction (EPI) on the lattice thermal conductivity kph of graphene from first-principles calculations. By employing an iterative solution of Boltzmann transport equation (BTE), we highlight the marked effect of the indirect coupling between the flexural acoustic (ZA) phonons and electrons on the therm...

Decreasing the thermal conductivity of a thermoelectric material is always a prerequisite for its potential application. Using first-principle calculations, we examine the magnetism-induced change in lattice thermal transport in bismuth telluride. The source of magnetic moment, Cr in the doped system, weakly magnetizes the coordinated Te atoms to m...

The lack of time-reversal symmetry and Weyl fermions give exotic transport properties to Co-based Heusler alloys. In the present study, we have investigated the role of chemical disorder on the variation of Weyl points in Co$_2$Ti$_{1-x}$V$_{x}$Sn magnetic Weyl semimetal candidate. We employ the first principle approach to track the evolution of th...

Decreasing thermal conductivity of a thermoelectric material is always a prerequisite for its potential application. Using first-principle calculations, we examine the magnetism induced change in lattice thermal transport in bismuth telluride. The source of magnetic moment, Cr in the doped system, weakly magnetizes the coordinated Te atoms to make...

The advances in the growth techniques provide numerous scope to explore the possibilities of new 2D materials for potential applications. With the aid of first-principle calculations we show that 2D Na can be a new addition to the family of thermodynamically stable 2D materials for device applications. Not surprisingly, due to half-occupied $3s$ or...

Declining the lattice thermal conductivity in graphene is essential for its thermoelectric applications. In high electron density systems, scatterings of phonons by electrons are no less than the phonon scatterings by other phonons. With the aid of first-principle calculations we examine the lattice thermal conductivity in graphene by inducing elec...

Carbon-coated single crystalline nanotubular (NT) and nanoparticular (NP) LiFe1-xMnxPO4 (x = 0, 0.2, and 0.5) cathodes are fabricated to study the effect of compositional and microstructural changes on Li⁺ diffusion and electrochemical properties. Insight in to the compositional effect on Li⁺ diffusion is obtained from DFT facilitated climbing imag...

Through density functional calculations, we have demonstrated that ferromagnetic and metallic (FM-M) phase can be tailored in superlattices consisting of two dissimilar antiferromagnetic and insulating olivine phosphates LiMPO4 and LiMʹPO4 where M and Mʹ are 3d transition metals. The proposed tailored superlattices are stable and differ from the re...

We show that small perturbations to the frozen-in magnetic fields in the early universe plasma results in the generation of large charge fluctuations. These large charge fluctuations lead to localized electric fields. The timescale of these fluctuations though small are comparable to the timescales related to phase transition dynamics of the quar...

Electronic structure of strongly correlated transition metal oxides (TMOs) is a complex phenomenon due to competing interaction among the charge, spin, orbital and lattice degrees of freedom. Often individual compounds are examined to explain certain properties associated with these compounds or in rare cases few members of a family are investigate...

Electronic structure of strongly correlated transition metal oxides (TMOs) is a complex phenomenon due to competing interaction among the charge, spin, orbital and lattice degrees of freedom. Often individual compounds are examined to explain certain properties associated with these compounds or in rare cases few members of a family are investigate...

Density functional calculations are carried out to understand and tailor the electrochemical profile diffusivity, band gap and open circuit voltage of transition metal doped olivine phosphate LiFe_{1-x}M_{x}PO_{4} (M = V, Cr, Mn, Co and Ni). Diffusion and hence the ionic conductivity is studied by calculating the activation barrier, V_{act}, experi...

Density functional calculations are carried out to understand and tailor the electrochemical profile diffusivity, band gap and open circuit voltage of transition metal doped olivine phosphate $LiFe_{1-x}M_{x}PO_{4}$ (M = V, Cr, Mn, Co and Ni). Diffusion and hence the ionic conductivity is studied by calculating the activation barrier, $V_{act}$, ex...

Oxygen plays a critical role in strongly correlated transition metal oxides as crystal field effect is one of the key factors that determine the degree of localization of the valence d/f states. Based on the localization, a set of conventional mechanisms such as Mott-Hubbard, Charge-transfer and Slater were formulated to explain the antiferromagnet...

Oxygen plays a critical role in strongly correlated transition metal oxides as crystal field effect is one of the key factors that determine the degree of localization of the valence d/f states. Based on the localization, a set of conventional mechanisms such as Mott-Hubbard, Charge-transfer and Slater were formulated to explain the antiferromagnet...