SearcharxivSearch

arXiv subjects

Souren Adhikary

Publications and source records attributed to Souren Adhikary.

9 recordsLinked to original sources

Valley-Landscape Engineering in Bilayer WSe$_2$ Gate-All-Around Transistors

The K-$Γ$ valence-band splitting $Δ_{KΓ}$ that governs hole transport in few-layer WSe$_2$ is not a fixed material constant. It is tuned by interlayer stacking, strain, pressure, and the dielectric and displacement-field environment. Its computed value also depends on the level of electronic-structure theory. Bilayer WSe$_2$ therefore realizes a tunable multivalley landscape rather than a single operating point. We combine first-principles inputs with an analytical two-valley device model for gate-all-around (GAA) field-effect transistors, and obtain three results. (i) The minimum subthreshold swing stays near the thermionic limit of $60$~mV~dec$^{-1}$ independently of layer number, because well below threshold the quantum capacitance remains far below the oxide capacitance. (ii) The effective mobility is set by the K-to-$Γ$ occupation ratio: valley redistribution is strong when $Δ_{KΓ}$ is of order $k_BT$ and fades toward single-valley $K$ transport as the splitting grows. (iii) In this small-splitting regime, biaxial strain tunes the effective mobility - and hence the on-current - through the valley population while the subthreshold swing stays at the thermionic limit, decoupling mobility control from electrostatic switching in a way distinct from scattering-based strategies. A symmetric GAA gate controls carrier density at essentially fixed splitting, and because an out-of-plane field increases $Δ_{KΓ}$, its midplane-symmetric potential avoids driving the channel out of the small-splitting regime. The design principle has two facets: small $Δ_{KΓ}$ - set by layer number, stacking, strain, and dielectric engineering - maximizes the valley tunability of $μ_\mathrm{eff}$, whereas larger $Δ_{KΓ}$, for example through compressive strain, suppresses the heavy $Γ$ valley and maximizes the on-state mobility.

cond-mat.mes-hall

Transconductance as a Probe of Valley Thermodynamics in Multilayer WSe$_2$

Transconductance is a central figure of merit in field-effect transistors, typically governed by charge accumulation and carrier mobility. In multilayer WSe$_2$ transistors, however, it is shown to carry a nonlinear transport signature of inter-valley carrier redistribution between the $K$ and $Γ$ valleys. This valley-crossover contribution suppresses transconductance in bilayer WSe$_2$ and reverses sign in trilayer, while remaining absent in single-valley systems. Unlike extrinsic mechanisms such as trap-state filling or contact resistance, the anomaly leaves the subthreshold swing unchanged and cannot be reproduced within conventional single-valley transport models. Introducing the valley susceptibility $χ_v \equiv \partial f_Γ/\partial V_{\rm GS}$, bounded by an intrinsic thermodynamic limit $(4k_BT)^{-1}$, we quantify this response and show that it reaches ${\sim}0.20\,\mathrm{V}^{-1}$ in bilayer WSe$_2$ near threshold at room temperature. The sign, magnitude, and temperature dependence of the anomaly provide directly measurable fingerprints of valley thermodynamics, establishing transconductance as an electrical probe of internal electronic degrees of freedom and revealing a previously hidden nonlinear response in standard transistor measurements.

cond-mat.mes-hall

Dilute Magnetism and Edge-State Engineering in Monolayer SnO

Tin monoxide (SnO) is a p-type oxide semiconductor whose electronic properties can be widely modified via atomic-scale engineering. Using density functional theory, we investigate the electronic and magnetic properties of transition-metal (TM = Mn, Fe, Co and W) doped SnO monolayer within a large supercell. We find that all dopants induce finite localized magnetic moments, primarily originating from $d$-orbitals of the impurity atoms. We show that these localized magnetic states give rise to nearly dispersionless bands in the vicinity of the Fermi energy (taking Co doped SnO as an example). In addition, we investigate dimensional effects by constructing nanoribbon geometries of SnO monolayer. The ribbons exhibit intrinsic edge-localized states that are largely independent of ribbon width. For chiral nanoribbons oriented along a low-symmetry direction of the square lattice, we find that oxygen-rich edges are thermodynamically most stable and remain semiconducting, whereas Sn-terminated edges host metallic one-dimensional conduction channels. Our results demonstrate that transition-metal doping and edge engineering provide effective routes to tailor the electronic properties of SnO monolayer, making it a promising candidate for future spintronic and nanoelectronic applications.

cond-mat.mtrl-sci

Strain Effects on Electronic Properties of Cobalt-Based Coordination Nanosheets

We theoretically study the strain effects on the electronic properties of cobalt-based benzenehexathiol (CoBHT) coordination nanosheets using first-principles calculations. Two distinct crystal structures, high-density structure (HDS) and low-density structure (LDS), are explored. Our results reveal that HDS behaves as a metal, while LDS exhibits semiconducting. Spin-polarized electronic band structures highlight the presence of energy band structures of Kagome lattice, and the inclusion of spin-orbit coupling (SOC) results in band gap openings at high-symmetric K points. Furthermore, we construct the tight-binding model to investigate the topological properties of CoBHT, demonstrating anomalous Hall conductivity driven by the intrinsic Berry curvature. The impact of uniaxial strain on the electronic and magnetic properties of CoBHT is also studied. Strain induces significant modifications in magnetic moments and density of states, particularly in the HDS. Anomalous Hall conductivity is enhanced under hole-doping conditions, suggesting that strain can be used to tailor the electronic properties of CoBHT for specific applications. Our findings underscore the potential of CoBHT nanosheets for use in next-generation electronic, optoelectronic, and catalytic devices with tunable properties through strain engineering.

cond-mat.mtrl-sci

Optically induced spin Hall current in monolayer Janus NbSSe: A first-principles study

Monolayer Janus transition-metal dichalcogenides possess Ising- and Rashba-type spin-orbit-couplings (SOC), leading to intriguing spin splitting effects at K and K$'$, and around $Γ$ points across the wide energy range. Using first-principles calculations, we unveil these SOC characteristics in metallic Janus NbSSe and demonstrate its potential for optically controlled spin current eneration. On the basis of the symmetry of the system, we show that different linear polarized light can selectively drive spin currents of distinct spin components. Our findings establish NbSSe as a promising candidate for next-generation optospintronic technologies, which is offering a pathway toward the development of polarization-tunable spin-current sources.

cond-mat.mtrl-sci

Excitonic circular dichroism in boron-nitrogen clusters decorated graphene

Within the first principle calculations, we propose a boron and nitrogen cluster incorporated graphene system for efficient valley polarization. The broken spatial inversion symmetry results in high Berry curvature at K and K' valleys of the hexagonal Brillouin zone in this semiconducting system. The consideration of excitonic quasiparticles within GW approximation along with their scattering processes within many-body Bethe-Salpeter equation gives rise to an optical gap of 1.72 eV with an excitonic binding energy of 0.65 eV. Owing to the negligible intervalley scattering, the electrons in opposite valleys are selectively excited by left- and right-handed circular polarized lights, as evident from the oscillator strength calculations. Therefore, this system can exhibit circular-dichroism valley Hall effect in the presence of the in-plane electric field. Moreover, such excitonic qubits can be exploited for information processing.

cond-mat.mtrl-sci

Circular dichroism in two-dimensional BC$_6$N and B$_3$C$_2$N$_3$ in absence of intervalley excitonic coupling

Two-dimensional (2D) noncentrosymmetric systems offer potential opportunities for exploiting the valley degrees of freedom for advanced information processing, owing to non-zero Berry curvature. However, such valley polarization in 2D materials is crucially governed by the intervalley excitonic scattering in momentum space due to reduced electronic degrees of freedom and consequent enhanced electronic correlation. Here, we study the valley excitonic properties of two 2D noncentrosymmetric complementary structures, namely, BC$_6$N and B$_3$C$_2$N$_3$ using first principles-based GW calculations combined with the Bethe-Salpeter equation (BSE), that brings the many-body interactions among the quasiparticles. The \textbf{k}-resolved oscillator strength of their first bright exciton indicates their ability to exhibit valley polarization under the irradiation of circularly polarized light of different chiralities. Both the systems show significant singlet excitonic binding energies of 0.74 eV and 1.31 eV, respectively. Higher stability of dark triplet excitons as compared to the singlet one can lead to higher quantum efficiency in both the systems. The combination of large excitonic binding energies and the valley polarization ability with minimal intervalley scattering make them promising candidates for applications in advanced optical devices and information storage technologies.

cond-mat.mtrl-sci

Valley-polarization and stable triplet exciton formation in 2D lateral heterostrcuture of hBN-kagome and graphene

Broken spatial inversion symmetry in semiconducting materials with time-reversal pair valleys can exhibit valley polarization. Based on first-principles calculations, here we propose a lateral heterostructure of kagome lattice of hBN and hexagonal graphene domains that exhibits opposite Berry curvature in inequivalent K and K' valleys. Explicit consideration of excitonic scattering processes within GW and Bethe-Salpeter equation formalism confirm insignificant intervalley coupling and consequent valley polarization ability along with 0.46 eV higher binding energy of triplet excitons. Such heterostructure with large charge carrier mobility can be exploited for advanced valleytronic and optoelectronic applications.

cond-mat.mtrl-sci

$g-B_{3}C_{2}N_{3}$: A new potential two dimensional metal-free photocatalyst for overall water splitting

In this work, using a hybrid density functional theory (DFT) based calculation, we propose a new two-dimensional (2D) B-C-N material, $g-B_{3}C_{2}N_{3}$, with the promising prospect of metal-free photocatalysis. A comprehensive investigation demonstrates that it is a near ultraviolet (UV) absorbing direct band gap (3.69 eV) semiconductor with robust dynamical and mechanical stability. Estimating the band positions with respect to water oxidation and hydrogen reduction potential levels, we observe that $g-B_{3}C_{2}N_{3}$ monolayer shows the possibility to be used for hydrogen fuel generation through spontaneous solar water splitting, over a broad pH range. Upon biaxial strain application the band gap decreases with increase in tensile strain, leading to a subsequent red shift in absorption spectra, implying enhanced photon harvest under solar irradiation. Furthermore, due to a combined effect of band gap and work function variation, biaxial strain realigns the band positions, allowing one to control the reducing or oxidizing ability as per requirement to attain environmental sustainability.

cond-mat.mtrl-sci