arXiv subjects

Shubham Patel

Publications and source records attributed to Shubham Patel.

10 recordsLinked to original sources

arXiv2026

Spin-phonon interaction in a symmetry-enforced spin-polarized state

Symmetry-governed magnetic materials have emerged as a promising platform for spintronic functionalities without net magnetization or stray magnetic fields, motivating the exploration of how lattice dynamics couple to symmetry-derived spin-polarized electronic states. Understanding spin-phonon coupling in these systems is therefore essential for uncovering the microscopic origin of spin-lattice interactions and for enabling their control in quantum materials. However, this mechanism remains poorly understood because spin polarization originates from crystal symmetry rather than conventional magnetic order. Here, we address this issue in the g-type altermagnet CoNb4Se8 using temperature- and polarization-resolved Raman spectroscopy, complemented by measurements on a structurally analogous Co-deficient compound lacking well-defined long-range magnetic order. We observe pronounced symmetry-selective phonon renormalization across the magnetic transition in CoNb4Se8, while related phonon anomalies persist in the Co-deficient system, demonstrating that the lattice response cannot be explained solely by conventional exchange-striction associated with coherent magnetic ordering. First-principles calculations reveal that spin-orbit coupling establishes a symmetry-dependent interaction channel between lattice vibrations and symmetry-governed electronic states. Our results identify an alternative mechanism for spin-phonon coupling in symmetry-governed magnetic materials and demonstrate that phonons provide a sensitive probe of symmetry-driven spin polarization even without robust magnetic order. More broadly, this work provides a framework for understanding and engineering spin-lattice functionality in symmetry-driven quantum materials, offering design principles for coupling lattice dynamics to spin-polarized electronic states.

cond-mat.mtrl-sci↗

arXiv2026

Observation of intertwined charge density wave order and superconductivity in Janus monolayer

Low-dimensional transition-metal dichalcogenides (TMDCs) provide an ideal platform for studying the emergence of charge density wave (CDW) and superconductivity. The discovery of emergent CDW order in 1T $\mathrm{ZrTe_2}$ monolayer raises an important question: does this instability persist when one $\mathrm{Te}$ chalcogen layer is substituted by $\mathrm{Se}$? In the present work, we investigate the CDW (2$\times$2$\times$1) and superconducting instability in 1T $\mathrm{ZrSeTe}$ Janus monolayer using first-principles calculations. The phonon spectrum exhibits a pronounced anomaly at the $\mathrm{M}$ point of the irreducible Brillouin zone, arising from enhanced electron-phonon interaction together with electronic instabilities originating from both interband and intraband scattering. The resulting lattice distortion reconstructs the electronic structure, opening a small indirect band gap, driving the system from a semi-metallic to a semiconducting state. The energy gain associated with the distortion is significantly smaller than that of $\mathrm{ZrTe_2}$ monolayer, indicating that the replacement of one $\mathrm{Te}$ chalcogen layer with $\mathrm{Se}$ weakens the CDW instability. We have further investigated the effects of electronic correlation and biaxial strain, both acts as effective tuning parameters for the instabilities concerened. In the high temperature undistorted phase, $\mathrm{ZrSeTe}$ exhibits phonon mediated two-gap superconductivity. It originates primarily from the robust coupling between the soft phonon mode at $\mathrm{M}$ point and the electronic bands predominantly derived from $\mathrm{Zr}$ $\mathit{d}$ and $\mathrm{Te}$ $\mathit{p}$ orbitals crossing the Fermi level. Spin-orbit coupling (SOC) further modifies the electronic states and reduces the superconducting transition temperature.

cond-mat.supr-con↗

arXiv2026

Improving the efficiency of QAOA using efficient parameter transfer initialization and targeted-single-layer regularized optimization with minimal performance degradation

Quantum approximate optimization algorithm (QAOA) have promising applications in combinatorial optimization problems (COPs). We investigated the MaxCut problem in three different families of graphs using QAOA ansats with parameter transfer initialization followed by targeted single layer optimization. For 3 regular (3R), Erdos Renyi (ER), and Barabasi Albert (BA) graphs, the parameter transfer approach achieved mean approximation ratios of 0.9443 for targeted-single layer optimization as compared to 0.9551 of full optimization. It represents 98.88 percent optimal performance, with 8.06 times computational speedup in unweighted graphs. But, in weighted graph families, optimal performance is relatively low (less than 90 percent) for higher nodes graph, suggesting parameter transfer followed by targeted-single-layer optimization is not ideal for weighted graph families, however, we find that for some weighted families (weighted 3-regular) this approach works perfectly. In 8.92 percent test cases, targeted single layer optimization outperformed the full optimization, indicating that complex parameter landscape can trap full optimization in sub-optimal local minima. To mitigate this inconsistency, ridge (L2) regularization is used to smoothen the solution landscape, which helps the optimizer to find better optimum parameters during full optimization and reduces these inconsistent test cases from 8.92 percent to 3.81 percent. This work demonstrates that efficient parameter initialization and targeted-single-layer optimization can improve the efficiency of QAOA with minimal performance degradation.

quant-ph↗

arXiv2025

LoRMA: Low-Rank Multiplicative Adaptation for LLMs

Large Language Models have shown remarkable capabilities in the NLP domain. Their effectiveness can mainly be attributed to their ability to adapt to an array of downstream tasks. However, generally, full fine-tuning is a computationally expensive job. To mitigate this, many techniques have been developed that prime efficiency, a prominent one being Low-Rank Adaptation (LoRA). However, LoRA and its variants employ re-parametrized additive updates. In this paper, we propose Low-Rank Multiplicative Adaptation (LoRMA), which shifts the paradigm of additive updates to a richer space of matrix multiplicative transformations. We tackle challenges such as computational complexity and rank bottleneck of matrix multiplication by effectively re-ordering operations and introducing rank inflation strategies. We conduct extensive experiments to demonstrate the effectiveness of our approach in terms of various evaluation metrics.

cs.CL↗

arXiv2024

Orbital selective Mott transition and magnetic moment in charge density wave heterostructures NbSe$_2/$Ta$X_2$

We investigate the electronic properties of charge density wave (CDW) heterostructures out of monolayers of 1T-NbSe$_2$ and 1T-Ta$X_2$ (where, $X=$ S and Se) using first-principles followed by dynamical calculations. The CDW-ordered crystal structures are simulated using $\sqrt{13}\times\sqrt{13}$ supercells of NbSe$_2$ and Ta$X_2$. These two-dimensional heterostructures are modeled by stacking monolayers of NbSe$_2$ and Ta$X_2$ along (001) direction. Our investigations reveal the presence of non-zero magnetic moments in NbSe$_2/$TaS$_2$, albeit without a long-range magnetic order, raising the issue of a possible quantum spin liquid (QSL) as suggested for monolayer 1T-TaS$_2$ recently. In contrast, the NbSe$_2/$TaSe$_2$ heterostructure exhibits no magnetic moment. In order to capture the dynamical effects of local correlation, we use DFT plus multi-orbital dynamical mean field theory (MO-DMFT). Our findings indicate that NbSe$_2/$TaS$_2$ is considerably influenced by the dynamic corrections, whereas NbSe$_2/$TaSe$_2$ shows minimal effects. Additionally, an orbital-selective Mott transition (OSMT) is observed in the NbSe$_2/$TaS$_2$ bilayer heterostructure.

cond-mat.str-el↗

arXiv2024

Superconductivity, valence-skipping and topological crystalline metal in AgSnSe$_2$

The recent suggestion of valence-skipping phenomenon driving a two-gap superconductivity in $Ag$-doped SnSe, by Kataria, \textit{et al.} [Phys. Rev. B 107, 174517 (2023)], has brought to the fore a long-standing issue once again. The absence of crystallographically inequivalent Sn cites corroborated by electronic properties of AgSnSe$_2$, calculated using first-principles density functional theory, however, does not appear to provide a strong support in favor of valence-skipping in this system. Interestingly, the signature of avoided band-crossings (with the inclusion of SOC) and non-zero \textit{mirror} Chern number ($n_{\mathcal{M}}$) confirm a non-trivial topology. The presence of mirror symmetry-protected surface states along the mirror planes indicates that AgSnSe$_2$ could be a potential candidate for topological crystalline metals (TCMs). Moreover, our calculation of electron-phonon coupling and anisotropic superconducting properties of AgSnSe$_2$, using Migdal-Eliashberg theory, gives a single-gap superconductivity with critical temperature $T_c \approx 7$K, consistent with the experimental value of $5$K. The interplay of topology and superconductivity in this three-dimensional material appears quite intriguing and it may provide new insights into the exploration of superconductivity and topology.

cond-mat.supr-con↗

arXiv2024

IITK at SemEval-2024 Task 10: Who is the speaker? Improving Emotion Recognition and Flip Reasoning in Conversations via Speaker Embeddings

This paper presents our approach for the SemEval-2024 Task 10: Emotion Discovery and Reasoning its Flip in Conversations. For the Emotion Recognition in Conversations (ERC) task, we utilize a masked-memory network along with speaker participation. We propose a transformer-based speaker-centric model for the Emotion Flip Reasoning (EFR) task. We also introduce Probable Trigger Zone, a region of the conversation that is more likely to contain the utterances causing the emotion to flip. For sub-task 3, the proposed approach achieves a 5.9 (F1 score) improvement over the task baseline. The ablation study results highlight the significance of various design choices in the proposed method.

cs.CL↗

arXiv2024

Electron-phonon coupling, critical temperatures and gaps in $\rm{NbSe_2}$/$\rm{MoS_2}$ Ising Superconductors

Utilizing Migdal-Eliashberg theory of superconductivity within the first-principles calculations, we work out the role of electron-phonon coupling (EPC) and anisotropic superconducting properties of a recently discovered [Appl. Phys. Lett. 120, 183101 (2022)] 2D van der Waals heterostructure comprising a single layer of MoS$_2$ and few layers of NbSe$_2$. We find strong EPC and a softening of phonon modes in the lowest acoustic branch. While the single MoS$_2$ layer does not actively contribute to the EPC, it significantly elevates the superconducting critical temperature ($T_c$) compared to monolayer NbSe$_2$. This is attributed to the degradation of the charge-density wave (CDW) by the MoS$_2$ layer. Notably, we observe a two-gap superconductivity in $\rm{NbSe_2}$/$\rm{MoS_2}$ and extend our study to three layers of NbSe$_2$. A reduction in $T_c$ with increasing thickness of NbSe$_2$ is observed. We confirm that this trend is consistent with recent experiments, if one goes beyond three layers of NbSe$_2$. We incorporated spin-orbit coupling (SOC) and suggest a possible mechanism for Ising superconductivity. We find that SOC reduces EPC while $T_c$ is suppressed concomitantly by about 5K, leading to a closer estimate of the experimental $T_c$.

cond-mat.supr-con↗

arXiv2023

Layer-dependent electronic structures and magnetic ground states of polar-polar $\rm{LaVO_3/KTaO_3}$ (001) heterostructures

Employing a first-principles and model Hamiltonian approach, we work out the electronic properties of polar-polar LaVO$_3$/KTaO$_3$ (LVO/KTO, 001) heterostrctures, with up to six layers of KTO and five layers of LVO. Our analyses indicate the existence of multiple Lifshitz transitions (LTs) within the $t_{2g}$ bands, which can be fine-tuned by adjusting the number of LVO layers or applying gate voltage. Contrary to the experimental report, spin-orbit coupling is found to be negligible, originating solely from the Ta $5d_{xy}$-derived band of KTO, while the 5$d_{xz}$ and 5$d_{yz}$ bands are considerably away from the Fermi level while LVO overlayers having no role in it. Magnetic properties of the heterostructures, due to Vanadium ions, exhibit a pronounced sensitivity to the number of LVO and KTO layers. Our calculations indicate that the interlayer AFM, (so called A-AFM), is energetically most favorable. This is further supported by ground state energy calculations on extended $\sqrt{2}\times\sqrt{2}$ supercells. Moreover, we find that an insulator to metal transition at the interface requires four LVO layers, corroborating the experimental observation. The interfaces featuring ferromagnetic (FM) ground states turn out to be \textit{half-metallic} after the critical thickness is reached. Considerations of the magnetic interactions appear crucial for the experimentally observed critical thickness for metallicity.

cond-mat.mtrl-sci↗

arXiv2022

Electric field and Strain-induced Band-gap Engineering and Manipulation of the Rashba Spin Splitting in Janus van der Waals Heterostructures

The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba spin-splitting. We investigate the variation of band-gaps and the Rashba parameter in three different Janus heterostructures having AB-stacked Mo$XY$/W$XY$ ($X$, $Y$ = S, Se, Te; $X\neq Y$) geometry with a $Y-Y$ interface, using first-principles calculations. We consider the effect of external electric field and in-plane biaxial strain in tuning the strength of the intrinsic electric field, which leads to remarkable modifications of the band-gap and the Rashba spin-splitting. In particular, it is found that the positive applied field and compressive in-plane biaxial strain can lead to a notable increase in the Rashba spin-splitting of the valence bands about the $Γ$-point. Moreover, our \textit{ab-initio} density functional theory (DFT) calculations reveal the existence of a type-II band alignment in these heterostructures, which remains robust under positive external field and biaxial strain. These suggest novel ways of engineering the electronic, optical, and spin properties of J-TMD van der Waals heterostructures holding a huge promise in spintronic and optoelectronic devices. Detailed $\mathbf{k\cdot p}$ model analyses have been performed to investigate the electronic and spin properties near the $Γ$ and K points of the Brillouin zone.

cond-mat.mtrl-sci↗