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Sudip Kumar Saha

Publications and source records attributed to Sudip Kumar Saha.

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Superconductivity from interband coupling to ferroelectric quantum critical fluctuations in two dimensions

Soft critical fluctuations associated with ferroelectric quantum phase transitions are typically transverse owing to their polar nature. This implies that the conventional density--density electron--phonon coupling to these modes is strongly suppressed, which is puzzling as a variety of materials exhibit enhanced superconductivity in the vicinity of ferroelectricity. An alternative coupling mechanism is an interband ``Stark''-like coupling that connects bands of opposite parity. In the limit where one of the bands is far in energy, these processes generate an effective quadratic (two-phonon) coupling. In contrast, when both bands lie close to the Fermi energy, the resulting interaction develops singular behavior due to the additional gapless electronic states, motivating a detailed study into the dynamics of this effective two-phonon coupling. To this end, we construct the quantum critical Eliashberg theory for a two-dimensional system across a wide range of interband gap magnitudes, near the quantum critical point. We find that the critical temperature $T_c$ is strongly enhanced relative to conventional BCS expectations. In the large-gap limit, the pairing kernel acquires higher-order logarithmic contributions, leading to a parametrically enhanced $T_c$ governed by cubic and quadratic logarithmic terms. In the small-gap regime, the pairing scale exhibits a modified BCS-like form with an enhanced dependence on the inverse square root of the dimensionless coupling constant. The enhancement is due to the dynamics of the two-phonon pairing whose infrared cutoff is set by $T_c$, resulting in a significant enhancement of superconductivity compared to three-dimensional systems, where it is set by the Fermi energy. Our results elucidate the unique dynamical properties of effective two-phonon interactions, and may be relevant to layered compounds like Td-MoTe$_2$ and doped SrTiO$_3$ membranes.

cond-mat.supr-con

Interlayer Charge-Transfer Ferroelectric Fluctuations as a Pairing Mechanism in van der Waals Superconductors

Signatures of unconventional superconductivity have been reported in a wide range of van der Waals (vdW) materials. However, their microscopic origin remains unclear due to competing electronic orders, strong spin-orbit coupling, and structural instabilities in the normal state. Here we investigate the role of interlayer breathing and shear modes in superconducting vdW heterostructures. Contrary to conventional wisdom -- which assumes that weak interlayer bonding and large layer separation suppress electronic coupling to these modes -- we show that the associated charge transfer can generate a substantial pairing interaction. We develop a theory of superconductivity mediated by such interlayer modes and demonstrate that proximity to a ferroelectric or antiferroelectric quantum critical point provides a strong-coupling pairing channel. Within a two-dimensional model with SU(2) symmetry and in-plane isotropy, we find an accidental degeneracy between interlayer triplet states, which can occur even for an $s$-wave in-plane gap. We further show that Josephson coupling between layers, arising from either static magnetism or induced by paramagnetic correlations, can stabilize a time-reversal-symmetry-breaking superconducting state of the $s+i\,s$ type, which couples to magnetization when at least two mirror symmetries are absent. Our results are directly applicable to candidate chiral vdW superconductors such as 4Hb-TaS$_2$ and to sliding ferroelectric metals, exemplified by bilayer MoTe$_2$. More broadly, our work identifies ferroelectric fluctuations as a promising route to unconventional pairing in vdW systems and motivates experimental searches for chiral multicomponent superconductivity.

cond-mat.supr-con

Strong Coupling Theory of Superconductivity and Ferroelectric Quantum Criticality in metallic SrTiO$_3$

Superconductivity in doped SrTiO$_3$ has remained an enduring mystery for over 50 years. The material's status as a ``quantum" ferroelectric metal, characterized by a soft polar mode, suggests that quantum criticality could play a pivotal role in the emergence of its superconducting state. We show that the system is amenable to a strong coupling (Eliashberg) pairing analysis, with the dominant coupling to the soft mode being a ``dynamical'' Rashba coupling. We compute the expected $T_c$ for the entire phase diagram, all the way to the quantum critical point and beyond. We demonstrate that the linear coupling is sufficient to obtain a rough approximation of the experimentally measured phase diagram, but that nonlinear coupling terms are crucial in reproducing the finer features in the ordered phase. The primary role of nonlinear terms at the peak of the superconducting dome is to enhance the effective linear coupling induced by the broken order, shifting the dome's maximum into the ordered phase. Our theory quantitatively reproduces the three-dimensional experimental phase diagram in the space of carrier density, distance from the quantum critical point and temperature, and allows us to estimate microscopic parameters from the experimental data.

cond-mat.str-el

Spin Peierls transition of $J_{1}-J_{2}$ and extended models with ferromagnetic $J_{1}$.Sublattice dimerization and thermodynamics of zigzag chains in $β$-TeVO$_{4}$

The spin$-1/2$ chain with ferromagnetic exchange $J_1 < 0$ between first neighbors and antiferromagnetic $J_2 > 0$ between second neighbors supports two spin-Peierls (SP) instabilities depending on the frustration $α= J_2/\vert J_1\vert$. Instead of chain dimerization with two spins per unit cell, $J_1-J_2$ models with $α> 0.65$ and linear spin-phonon coupling are unconditionally unstable to sublattice dimerization with four spins per unit cell. Unequal $J_1$ to neighbors to the right and left extends the model to gapped ($γ> 0$) chains with conditional SP transitions at $T_{SP}$ to dimerized sublattices and a weaker specific heat $C(T)$ anomaly. The spin susceptibility $χ(T)$ and $C(T)$ are obtained in the thermodynamic limit by a combination of exact diagonalization of small systems with $α> 0.65$ and density matrix renormalization group (DMRG) calculations of systems up to $N \sim 100$ spins. Both $J_1-J_2$ and $γ> 0$ models account quantitatively for $χ(T)$ and $C(T)$ in the paramagnetic phase of $β$-TeVO$_{4}$ for $T > 8$ K, but lower $T$ indicates a gapped chain instead of a $J_1-J_2$ model as previously thought. The same parameters and $T_{SP} = 4.6$ K generate a $C(T)/T$ anomaly that reproduces the anomaly at the $4.6$ K transition of $β$-TeVO$_{4}$, but not the weak $χ(T)$ signature.

cond-mat.str-el

Density matrix renormalization group approach to the low temperature thermodynamics of correlated 1D fermionic models

The low temperature thermodynamics of correlated 1D fermionic models with spin and charge degrees of freedom is obtained by exact diagonalization (ED) of small systems and followed by density matrix renormalization group (DMRG) calculations that target the lowest hundreds of states $\{E(N)\}$ at system size $N$ instead of the ground state. Progressively larger $N$ reaches $T < 0.05t$ in correlated models with electron transfer $t$ between first neighbors and bandwidth $4t$. The size dependence of the many-fermion basis is explicitly included for arbitrary interactions by scaling the partition function. The remaining size dependence is then entirely due to the energy spectrum $\{E(N)\}$ of the model. The ED/DMRG method is applied to Hubbard and extended Hubbard models, both gapped and gapless, with $N_e = N$ or $N/2$ electrons and is validated against exact results for the magnetic susceptibility $χ(T)$ and entropy $S(T)$ per site. Some limitations of the method are noted. Special attention is given to the bond-order-wave phase of the extended Hubbard model with competing interactions and low $T$ thermodynamics sensitive to small gaps.

cond-mat.str-el

Low temperature thermodynamics of the antiferromagnetic $J_1-J_2$ model: Entropy, critical points and spin gap

The antiferromagnetic $J_1-J_2$ model is a spin-1/2 chain with isotropic exchange $J_1 > 0$ between first neighbors and $J_2 = αJ_1$ between second neighbors. The model supports both gapless quantum phases with nondegenerate ground states and gapped phases with $Δ(α) > 0$ and doubly degenerate ground states. Exact thermodynamics is limited to $α= 0$, the linear Heisenberg antiferromagnet (HAF). Exact diagonalization of small systems at frustration $α$ followed by density matrix renormalization group (DMRG) calculations returns the entropy density $S(T,α,N)$ and magnetic susceptibility $χ(T,α,N)$ of progressively larger systems up to $N = 96$ or 152 spins. Convergence to the thermodynamics limit, $S(T,α)$ or $χ(T,α)$, is demonstrated down to $T/J \sim 0.01$ in the sectors $α< 1$ and $α> 1$. $S(T,α)$ yields the critical points between gapless phases with $S^\prime(0,α) > 0$ and gapped phases with $S^\prime(0,α) = 0$. The $S^\prime(T,α)$ maximum at $T^*(α)$ is obtained directly in chains with large $Δ(α)$ and by extrapolation for small gaps. A phenomenological approximation for $S(T,α)$ down to $T = 0$ indicates power-law deviations $T^{-γ(α)}$ from $\exp(-Δ(α)/T)$ with exponent $γ(α)$ that increases with $α$. The $χ(T,α)$ analysis also yields power-law deviations, but with exponent $η(α)$ that decreases with $α$. $S(T,α)$ and the spin density $ρ(T,α) = 4Tχ(T,α)$ probe the thermal and magnetic fluctuations, respectively, of strongly correlated spin states. Gapless chains have constant $S(T,α)/ρ(T,α)$ for $T < 0.10$. Remarkably, the ratio decreases (increases) with $T$ in chains with large (small) $Δ(α)$.

cond-mat.str-el

Topological transitions to Weyl states in bulk Bi$_2$Se$_3$: Effect of hydrostatic pressure and doping

Bi$_2$Se$_3$, a layered three dimensional (3D) material, exhibits topological insulating properties due to presence of surface states and a band gap of 0.3 eV in the bulk. We study the effect hydrostatic pressure $P$ and doping with rare earth elements on the topological aspect of this material in bulk from a first principles perspective. Our study shows that under a moderate pressure of P$>$7.9 GPa, the bulk electronic properties show a transition from an insulating to a Weyl semi-metal state due to band inversion. This electronic topological transition may be correlated to a structural change from a layered van der Waals material to a 3D system observed at $P$=7.9 GPa. At large $P$ density of states have significant value at the Fermi-energy. Intercalating Gd with a small doping fraction between Bi$_2$Se$_3$ layers drives the system to a metallic anti-ferromagnetic state, with Weyl nodes below the Fermi-energy. At the Weyl nodes time reversal symmetry is broken due to finite local field induced by large magnetic moments on Gd atoms. However, substituting Bi with Gd induces anti-ferromagnetic order with an increased direct band gap. Our study provides novel approaches to tune topological transitions, particularly in capturing the elusive Weyl semimetal states, in 3D topological materials.

cond-mat.mtrl-sci

Bond-bond correlations, gap relations and thermodynamics of spin-$1/2$ chains with spin-Peierls transitions and bond-order-wave phases

The spin-$1/2$ chain with antiferromagnetic exchange $J_1$ and $J_2 = αJ_1$ between first and second neighbors, respectively, has both gapless and gapped ($Δ(α) > 0$) quantum phases at frustration $0 \le α\le 3/4$. The ground state instability of regular ($δ= 0$) chains to dimerization ($δ> 0$) drives a spin-Peierls transition at $T_{SP}(α)$ that varies with $α$ in these strongly correlated systems. The thermodynamic limit of correlated states is obtained by exact treatment of short chains followed by density matrix renormalization calculations of progressively longer chains. The doubly degenerate ground states of the gapped regular phase are bond order waves (BOWs) with long-range bond-bond correlations and electronic dimerization $δ_e(α)$. The $T$ dependence of $δ_e(T,α)$ is found using four-spin correlation functions and contrasted to structural dimerization $δ(T,α)$ at $T \le T_{SP}(α)$. The relation between $T_{SP}(α)$ and the $T = 0$ gap $Δ(δ(0),α)$ varies with frustration in both gapless and gapped phases. The magnetic susceptibility $χ(T,α)$ at $T > T_{SP}$ can be used to identify physical realizations of spin-Peierls systems. The $α= 1/2$ chain illustrates the characteristic BOW features of a regular chain with a large singlet-triplet gap and electronic dimerization.

cond-mat.str-el

Haldane and Dimer phases in a frustrated spin chain: an exact groundstate and associated topological phase transition

A Heisenberg spin-$s$ chain with alternating ferromagnetic ($-J_1^F<0$) and antiferromagnetic ($J_1^A>0$) nearest-neighbor (NN) interactions, exhibits the Dimer and spin-$2s$ Haldane phases in the limits $J_1^F/J_1^A \rightarrow 0$ and $J_1^F/J_1^A \rightarrow \infty$ respectively. These two phases are understood to be topologically equivalent. Induction of the frustration through the next nearest-neighbor ferromagnetic interaction ($-J_2^F<0$) produces a very rich quantum phase diagram. With frustration, the whole phase diagram is divided into a ferromagnetic (FM) and a nonmagnetic (NM) phase. For $s=1/2$, the full NM phase is seen to be of Haldane-Dimer type, but for $s>1/2$, a spiral phase comes between the FM and the Haldane-Dimer phases. The study of a suitably defined string-order parameter and spin-gap at the phase boundary indicates that the Haldane-Dimer and spiral phases have different topological characters. We also find that, along the $J_2^F=\frac 12 J_1^F$ line in the NM phase, an NN dimer state is the {\it exact} groundstate, provided $J_1^A>J_C=κJ_1^F$ where $κ\le s + h$ for applied magnetic field $h$. Without magnetic field, the position of $J_C$ is on the FM-NM phase boundary when $s=1/2$, but for $s>1/2$, the location of $J_C$ is on the phase separation line between the Haldane-Dimer and spiral phases.

cond-mat.str-el

Modeling the spin-Peierls transition of spin-$1/2$ chains with correlated states: $J_1-J_2$ model, CuGeO$_3$ and TTF-CuS$_4$C$_4$(CF$_3$)$_4$

The spin-Peierls transition at $T_{SP}$ of spin-$1/2$ chains with isotropic exchange interactions has previously been modeled as correlated for $T > T_{SP}$ and mean field for $T < T_{SP}$. We use correlated states throughout in the $J_1-J_2$ model with antiferromagnetic exchange $J_1$ and $J_2 = αJ_1$ between first and second neighbors, respectively, and variable frustration $0 \leq α\leq 0.50$. The thermodynamic limit is reached at high $T$ by exact diagonalization of short chains and at low $T$ by density matrix renormalization group calculations of progressively longer chains. In contrast to mean field results, correlated states of 1D models with linear spin-phonon coupling and a harmonic adiabatic lattice provide an internally consistent description in which the parameter $T_{SP}$ yields both the stiffness and the lattice dimerization $δ(T)$. The relation between $T_{SP}$ and $Δ(δ,α)$, the $T = 0$ gap induced by dimerization, depends strongly on $α$ and deviates from the BCS gap relation that holds in uncorrelated spin chains. Correlated states account quantitatively for the magnetic susceptibility of TTF-CuS$_4$C$_4$(CF$_3$)$_4$ crystals ($J_1 = 79$ K, $α= 0$, $T_{SP} = 12$ K) and CuGeO$_3$ crystals ($J_1 = 160$ K, $α= 0.35$, $T_{SP} = 14$ K). The same parameters describe the specific heat anomaly of CuGeO$_3$ and inelastic neutron scattering. Modeling the spin-Peierls transition with correlated states exploits the fact that $δ(0)$ limits the range of spin correlations at $T = 0$ while $T > 0$ limits the range at $δ= 0$.

cond-mat.str-el

Spin-Peierls transition of the dimer phase of the $J_1-J_2$ model: Energy cusp and CuGeO$_3$ thermodynamics

The spin-Peierls transition is modeled in the dimer phase of the spin-$1/2$ chain with exchanges $J_1$, $J_2 = αJ_1$ between first and second neighbors. The degenerate ground state generates an energy cusp that qualitatively changes the dimerization $δ(T)$ compared to Peierls systems with nondegenerate ground states. The parameters $J_1 = 160$ K, $α= 0.35$ plus a lattice stiffness account for the magnetic susceptibility of CuGeO$_3$, its specific heat anomaly, and the $T$ dependence of the lowest gap.

cond-mat.str-el

Hybrid ED/DMRG approach to the thermodynamics of 1D quantum models

Exact diagonalization (ED) of small model systems gives the thermodynamics of spin chains or quantum cell models at high temperature $T$. Density matrix renormalization group (DMRG) calculations of progressively larger systems are used to obtain excitations up to a cutoff $W_C$ and the low-$T$ thermodynamics. The hybrid approach is applied to the magnetic susceptibility $χ(T)$ and specific heat $C(T)$ of spin-$1/2$ chains with isotropic exchange such as the linear Heisenberg antiferromagnet (HAF) and the frustrated $J_1-J_2$ model with ferromagnetic (F) $J_1 < 0$ and antiferromagnetic (AF) $J_2 > 0$. The hybrid approach is fully validated by comparison with HAF results. It extends $J_1-J_2$ thermodynamics down to $T \sim 0.01|J_1|$ for $J_2/|J_1| \geq α_c = 1/4$ and is consistent with other methods. The criterion for the cutoff $W_C(N)$ in systems of $N$ spins is discussed. The cutoff leads to bounds for the thermodynamic limit that are best satisfied at a specific $T(N)$ at system size $N$.

cond-mat.str-el

B-site spin-state and anti-site disorder driven multiple-magnetic phases: Griffiths phase, re-entrant cluster glass and exchange bias in double perovskite Pr$_2$CoFeO$_6$

We report the comprehensive experimental results identifying the magnetic spin ordering and the magnetization dynamics of a double perovskite Pr2CoFeO6 by employing the (dc and ac) magnetization, powder neutron diffraction (NPD) and X-ray magnetic circular dichroism (XMCD) techniques. X-ray diffraction and neutron diffraction studies revealed that Pr2CoFeO6 adopts a B-site disordered orthorhombic structure with space group Pnma. Additionally, ab initio band structure calculations performed on this system suggested an insulating anti-ferromagnetic (Fe-Fe) ground state. Magnetometry study showed the system to possess a spectrum of interesting magnetic phases including long range antiferromagnetic (canted) spin ordering (TN ~269 K), Griffiths phase, re-entrant cluster glass (RCG) (TG~ 34 K) and exchange bias. However, the NPD study divulged the exhibition of a long range G-type (below TN ~269 K) of spin ordering by Fe spins. Spin dynamics study by ac susceptibility technique confirmed the system possessing long range ordering at higher temperatureundergoes a RCG transition at ~34 K. Existence of Griffiths phase was confirmed by non-analytic field variation of magnetization and Heisenberg type temporal spin relaxation above long range ordering temperature TN ~269 K. The anti-site disorder related to the B-sites (Co/Fe) is found to be the main driving force forthe observed multiple magnetic phases. Furthermore, the electronic structure probed by the X-ray absorption spectroscopy (XAS) study suggested a nominal valance state of +3 for both of the B-site ions (Co/Fe) which in turn triggered the anti-site disorder in the system. Magnetic, XRD, NPD and XAS analysis yielded a low spin state (LS) for the Co3+ ions. The random non-magnetic dilution of magnetic Fe3+ (HS) ions by Co3+ (LS) ions essentially played a crucial role in manifesting the magnetic properties of the system.

cond-mat.mtrl-sci

Characterization of Majorana-Ising phase transition in a helical liquid system

We map an interacting helical liquid system, coupled to an external magnetic field and s-wave superconductor, to an XYZ spin system, and it undergoes Majorana-Ising transition by tuning of parameters. In the Majorana state, lowest excitation gap decays exponentially with system size, and the system has degenerate ground state in the thermodynamic limit. On the contrary, the gap opens in the Ising phase even in the thermodynamic limit. We also study other criteria to characterize the transition, such as edge spin correlation with its neighbor $C(r=1)$, local susceptibility $χ_i$, superconducting order parameter of edge spin $P(r=1)$, and longitudinal structure factor $S(k)$. The ground state degeneracy and three other criteria lead to the same critical value of parameters for Majorana-Ising phase transition in the thermodynamic limit. We study, for the first time, the entanglement spectrum of the reduced density matrix of the helical liquid system. The system shows finite Schmidt gap and non-degeneracy of the entanglement spectrum in the Ising limit. The Schmidt gap closes in the Majorana state, and all the eigenvalues are either doubly or multiply degenerate.

cond-mat.str-el

A Study of Topological Quantum Phase Transition and Majorana Localization Length for the Interacting Helical Liquid System

We consider a helical spin liquid system which shows majorana fermion modes at the edge. The interaction between the quasiparticles in this system induces phase transition, Majorana-Ising transition. We comply the density matrix renormalization group method to study this phase transition for the entire regime of the parameter space. We observe the presence of topological quantum phase transition for repulsive interaction, however this phase is more stable for the attractive interaction. The length scale dependent study shows many new and important results and we show explicitly that the major contribution to the excitation comes from the edge of the system when the system is in the topological state. We also show the dependence of Majorana localization length for various values of chemical potential.

cond-mat.str-el