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Priyo Adhikary

Publications and source records attributed to Priyo Adhikary.

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Acoustic-phonon-driven spin-lattice relaxation of the hBN boron vacancy in the sub-THz regime

The negatively charged boron vacancy center in hexagonal boron nitride is a premier candidate for quantum sensing, yet its performance is critically limited by longitudinal spin-lattice relaxation time ($T_1$). A microscopic understanding of spin relaxation in the high magnetic field regime remains elusive, as the relevant Zeeman transitions lie far below the optical phonon energies typically invoked to describe the relaxation process. Here, we apply an \textit{ab initio} acoustic mode spin-phonon relaxation theory to this problem and quantitatively reproduce the experimental magnetic field and temperature dependence of $T_1$ without empirical fitting parameters. We demonstrate that the relaxation dynamics are driven by a direct one-phonon emission and absorption process resonant with the Zeeman splitting. Furthermore, we identify the out-of-plane flexural phonon branch which is unique to two-dimensional hosts, as the primary source of decoherence, creating a distinct low-energy spectral function that facilitates spin relaxation. Our results provide a microscopic interpretation of the experimentally observed non-monotonic field and temperature dependence in two-dimensional quantum defect centers.

cond-mat.mtrl-sci

Sub-Terahertz Spin Relaxation Dynamics of Boron-Vacancy Centers in Hexagonal Boron Nitride

Quantum sensors based on spin-defect relaxation have become powerful tools for detecting faint magnetic signals, yet their operation has remained largely confined to low magnetic fields and gigahertz frequencies. Extending such sensors into high-field ($> 0.3$ T) and sub-terahertz regimes would enable quantum metrology across a wide range of electromagnetic phenomena and scientific applications, but has proven challenging. Here, we demonstrate that negatively charged boron vacancies ($\mathrm{V_B^-}$) in two-dimensional hexagonal boron nitride can function as relaxation-based quantum sensors operating up to 0.2 terahertz. Their uniform spin-orientation and persistent spin-contrast at high fields enable direct measurement of intrinsic spin relaxation across previously unexplored temperature and frequency regimes. We also reveal a crossover in relaxation behavior \textemdash initially decreasing at low fields before rising at higher fields \textemdash consistent with the emergence of single-phonon-induced resonant noise that becomes significant at sub-terahertz frequencies. These results establish $\mathrm{V_B^-}$ centers as a versatile platform for quantum sensing in the sub-terahertz, high-field regime.

quant-ph

Doping induced singlet to triplet superconducting transition in Ba$_{2}$CuO$_{3+δ}$

In this study, we perform a numerical simulation on the recently discovered high-temperature superconductor ($T_c$= 73K) Ba$_2$CuO$_{3.2}$ \cite{lietal} while focusing on doping dependence of alternating CuO$_6$ octahedra and CuO chain-like states. Employing the multiband random-phase approximation, we compute the spin-fluctuation mediated pairing interaction, subsequently determining its pairing eigenvalues and eigenfunctions relative to oxygen-doping levels. We find that, for the certain range of hole doping in Ba$_2$CuO$_{3+δ}$, a singlet $d_{x^2-y^2}$-wave pairing symmetry emerges as long as we keep the doping below the critical value $x_{c}$. Interestingly upon hole doping, the dominant pairing symmetry undergoes a transition to a triplet (odd paring) type from the singlet state. This change in pairing is driven by the competition between the nesting vectors coming from the Fermi surface of $d_{z^2}$ and $d_{x^2-y^2}$ orbitals within the CuO$_6$ octahedra. This triplet state is attainable through hole doping, while supressing inter-layer self-doping effects. Furthermore, we present the density of states within the superconducting phase, offering a potential comparison with tunnelling spectra in Ba$_2$CuO$_{3+δ}$. Our research provides novel insights into the intricate pairing symmetries in Ba$_2$CuO$_{3+δ}$ and their underlying pairing mechanisms.

cond-mat.supr-con

Unique $d_{xy}$ Superconducting State in the Cuprate Member Ba$_{2}$CuO$_{3.25}$

Recent discovery of superconductivity at a transition temperature of $73$K in the doped layered compound Ba$_{2}$CuO$_{3+x}$ for $x\sim 0.2$ has generated a lot of interest. Experiments in this alternately stacked oxygen octahedral and chain layered structure reveal that a compression of the octahedra causes the Cu- {$d_{z^{2}}$} orbital to lie above the Cu- {$d_{x^2-y^2}$} orbital unlike in the well-known cuprate superconducting materials. Our first-principle calculations and low-energy Hamiltonian studies on the $x$ = 0.25 system reveal that this energy ordering results in the formation of $d_{z^2}$ dominated electron pockets. The strong nesting in the Fermi pockets leads to an AFM spin fluctuation mediated $d_{xy}$ wave superconducting state dominated by pairing among the $d_{z^{2}}$ orbitals. This is in contrast to the cuprate superconductors (e.g., YBCO) where both electron and hole pockets exist and the superconducting state with B$_{1g}$ symmetry is formed by the $d_{x^2-y^2}$ orbital electrons. Unlike the earlier reports, we find that inter-layer hybridization has an important contribution to the low-energy band structure and formation of the unconventional superconducting state.

cond-mat.supr-con

Superconductivity in Infinite-layer Nickelates : Role of Non-zero f-ness

Employing first-principles density functional theory calculations and Wannierization of the low energy band structure, we analyze the electronic structure of undoped, infinite-layer nickelate compounds, NdNiO$_2$, PrNiO$_2$ and LaNiO$_2$. Our study reveals important role of non-zero $f$-ness of Nd and Pr atoms, as opposed to $f^{0}$ occupancy of La. The non-zero $f$-ness becomes effective in lowering the energy of the rare-earth 5$d$ hybridized axial orbital, thereby enhancing the electron pockets and influencing the Fermi surface topology. The Fermi surface topology of NdNiO$_2$ and PrNiO$_2$ is strikingly similar, while differences are observed for LaNiO$_2$. This difference shows up in computed doping dependent superconducting properties of the three compounds within a weak coupling theory. We find two gap superconductivity for NdNiO$_2$ and PrNiO$_2$, and possibility of a single gap superconductivity for LaNiO$_2$ with the strength of superconductivity suppressed by almost a factor of two, compared to Nd or Pr compound.

cond-mat.supr-con

Prediction of $f$-wave pairing symmetry in YBa$_2$Cu$_3$O$_{6+x}$ cuprates

We perform a numerical simulation of a three-band Hubbard model with two CuO$_2$ planes and a single CuO chain layer for YBCO cuprates. The spin-fluctuation mediated pairing interaction is computed within the multiband random-phase approximation, and its pairing eigenvalues and eigenfunctions are solved as a function of chain state filling factor $n_c$. We find that for the intrinsic value of $n_c$ in YBCO samples, one obtains the usual $d$-wave pairing symmetry. However, if we dope the chain layers with holes, while keeping the plane states doping fixed, the leading pairing symmetry solution becomes an unconventional $f$-wave symmetry. The mechanism behind the $f$-wave pairing is the competition between the plane states antiferromagnetic nesting and chain states' uniaxial nesting. We also find that the pairing strength is strongly augmented when the flat band bottom of the chain state passes the Fermi level for a fixed plane states doping. The $f$-wave pairing symmetry can be realized in YBCO cuprates in future experiments where the self-doping mechanism between the chain and plane states can be minimized so that only chain state can be selectively hole doped.

cond-mat.supr-con

Orbital Selective Superconductivity in a Two-band Model of Infinite-Layer Nickelates

In the present study, we explore superconductivity in NdNiO$_2$ and LaNiO$_2$ employing a first-principles derived low-energy model Hamiltonian, consisting of two orbitals: Ni $x^{2}$-$y^{2}$, and an {\it axial} orbital. The {\it axial} orbital is constructed out of Nd/La $d$, Ni 3$z^{2}$-$r^{2}$ and Ni $s$ characters. Calculation of the superconducting pairing symmetry and pairing eigenvalue of the spin-fluctuation mediated pairing interaction underlines the crucial role of inter-orbital Hubbard interaction in superconductivity, which turns out to be orbital-selective. The axial orbital brings in materials dependence in the problem, making NdNiO$_2$ different from LaNiO$_2$, thereby controlling the inter-orbital Hubbard interaction assisted superconductivity.

cond-mat.supr-con

Novel attractive pairing interaction in strongly correlated superconductors

Conventional and unconventional superconductivity, respectively, arise from attractive (electron-phonon) and repulsive (many-body Coulomb) interactions with fixed-sign and sign-reversal pairing symmetries. Although heavy-fermions, cuprates, and pnictides are widely believed to be unconventional superconductors, recent evidence in one of the heavy fermion superconductor (CeCu$_2$Si$_2$) indicate the presence of a novel conventional type pairing symmetry beyond the electron-phonon coupling. We present a new mechanism of attractive potential between electrons, mediated by emergent boson fields (vacuum or holon) in the strongly correlated mixed valence compounds. In the strong coupling limit, localized electron sites are protected from double occupancy, which results in an emergent holon gauge fields. The holon states can, however, attract conduction electrons through valence fluctuation channel, and the resulting doubly occupied states with local and conduction electrons condense as Cooper pairs with onsite, fixed-sign, $s$-wave pairing symmetry. We develop the corresponding self-consistent theory of superconductivity, and compare the results with experiments. Our theory provides a new mechanism of superconductivity whose applicability extends to the wider class of intermetallic/mixed-valence materials and other flat-band metals.

cond-mat.supr-con

Localization physics in graphene Moire superlattices

Non-trivial Berry phase of graphene leads to unusual quantum correction to the conductivity. Berry phase of pi in single layer graphene (SLG) and 2pi in bi-layer graphene (BLG) is expected to reveal weak anti-localization (WAL) and weak localization (WL), respectively. However, experimentally both WAL and WL have been observed in graphene devices depending on the strength of different scattering mechanisms. Graphene superlattice having multiple Dirac cones is expected to exhibit pi to 2pi Berry phase transition from primary Dirac cone (PDC) to cloned Dirac cone (CDC). However, its effect on localization physics has not been explored yet. In this letter we present the magneto-conductance study in a hexagonal Boron-nitride (hBN)-graphene moire superlattice. Our results reveal a transition from WAL at PDC to WL at CDC in a single device by tuning the Fermi energy. The transition is supported by the quantum oscillation measurements showing a shift of pi phase from PDC to CDC and corresponding theoretical calculation capturing the Berry phase transition. Thus, our studies on localization physics in graphene superlattice pave the way to understand the carrier dynamics at multiple Dirac cones.

cond-mat.mes-hall