arXiv subjects

Ranjit Pati

Publications and source records attributed to Ranjit Pati.

8 recordsLinked to original sources

arXiv2026

Interface-induced spin-resolved type-II band alignment and enhanced magnetic anisotropy in MSe2/WTe2 (M = V, Cr, Mn, Fe and Co) van der Waals heterobilayers

Two-dimensional van der Waals heterobilayers provide an attractive platform for the development of next-generation spintronic devices. Here, first-principles calculations are performed to investigate the structural, electronic and magnetic properties of MSe2/WTe2 (M = V, Cr, Mn, Fe, and Co) van der Waals heterobilayers. The pristine WSe2/WTe2 heterobilayer in AA'-configuration is found to be energetically favorable and exhibits type-II band alignment with a band gap of 0.70 eV, and this provides an ideal platform for controlling carrier transport. Substituting W with 3d transition metal atoms, induces long-range magnetic ordering and reconstructs the spin-resolved electronic band structure. The formation of the heterointerface generates pronounced charge redistribution and an intrinsic built-in electric field, leading to interface-induced electronic reconstruction. MnSe2/WTe2 heterobilayer exhibits half-metallicity, whereas FeSe2/WTe2 heterobilayer simultaneously exhibits half-metallicity and spin-resolved type-II band alignment. Interfacial electronic reconstruction further produces a substantial perpendicular magnetic anisotropy, driving MnSe2 from an in-plane easy axis with MAE value of 1.10 meV in the isolated monolayer to a robust out-of-plane easy axis with MAE value of 20.8 meV in the heterobilayer. Among all the structures, CoSe2/WTe2 heterobilayer exhibits maximum Curie temperature (273.87 K). The combined results establish that interface engineering makes MSe2/WTe2 heterobilayers as a promising candidates for next-generation low-dimensional spintronic applications.

cond-mat.mtrl-sci↗

arXiv2023

Coherent Tunneling and Strain Sensitivity of an All Heusler Alloy Magnetic Tunneling Junction: A First-Principles Study

Half-metallic Co-based full Heusler alloys have captured considerable attention of the researchers in the realm of spintronic applications, owing to their remarkable characteristics such as exceptionally high spin polarization at Fermi level, ultra-low Gilbert damping, and high Curie temperature. In this comprehensive study, employing density functional theory, we delve into the stability and electron transport properties of a magnetic tunneling junction (MTJ) comprising a Co$_2$MnSb/HfIrSb interface. Utilizing a standard model given by Julliere, we estimate the tunnel magnetoresistance (TMR) ratio of this heterojunction under external electric field, revealing a significantly high TMR ratio (500%) that remains almost unaltered for electric field magnitudes up to 0.5 V/A. In-depth investigation of K-dependent majority spin transmissions uncovers the occurrence of coherent tunneling for the Mn-Mn/Ir interface, particularly when a spacer layer beyond a certain thickness is employed. Additionally, we explore the impact of bi-axial strain on the MTJ by varying the in-plane lattice constants between -4% and +4%. Our spin-dependent transmission calculations demonstrate that the Mn-Mn/Ir interface manifests strain-sensitive transmission properties under both compressive and tensile strain, and yields a remarkable three-fold increase in majority spin transmission under tensile strain conditions. These compelling outcomes place the Co2MnSb/HfIrSb junction among the highly promising candidates for nanoscale spintronic devices, emphasizing the potential significance of the system in the advancement of the field.

physics.app-ph↗

arXiv2014

Electrical tuning of spin current in a boron nitride nanotube quantum dot

Controlling spin current and magnetic exchange coupling by applying an electric field and achieving high spin injection efficiency at the same time in a nanostructure coupled to ferromagnetic electrodes have been the outstanding challenges in nanoscale spintronics. A relentless quest is going on to find new low dimensional materials with tunable spin dependent properties to address these challenges. Herein, we predict, from first principles, the transverse electric field induced switching in the sign of exchange coupling and tunnel magnetoresistance in a boron nitride nanotube quantum dot attached to ferromagnetic nickel contacts.

cond-mat.mes-hall↗

arXiv2011

Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction

We propose a new orbital controlled model to explain the gate field induced switching of current in a semiconducting PbS-nanowire junction. A single particle scattering formalism in conjunction with a posteriori density functional approach involving hybrid functional is used to study the electronic current; both first and higher order Stark effects are explicitly treated in our model. Our calculation reveals that after a threshold gate-voltage, orbital mixing produces p-components at the S atoms in the participating orbitals. This results in an inter-layer orbital interaction that allows electron to delocalize along the channel axis. As a consequence a higher conductance state is found. A similar feature is also found in a PbSe nanowire junction, which suggests that this model can be used universally to explain the gate field induced switching of current in lead-chalcogenide nanowire junctions.

cond-mat.mes-hall↗

arXiv2011

Massively parallel computing on an organic molecular layer

Current computers operate at enormous speeds of ~10^13 bits/s, but their principle of sequential logic operation has remained unchanged since the 1950s. Though our brain is much slower on a per-neuron base (~10^3 firings/s), it is capable of remarkable decision-making based on the collective operations of millions of neurons at a time in ever-evolving neural circuitry. Here we use molecular switches to build an assembly where each molecule communicates-like neurons-with many neighbors simultaneously. The assembly's ability to reconfigure itself spontaneously for a new problem allows us to realize conventional computing constructs like logic gates and Voronoi decompositions, as well as to reproduce two natural phenomena: heat diffusion and the mutation of normal cells to cancer cells. This is a shift from the current static computing paradigm of serial bit-processing to a regime in which a large number of bits are processed in parallel in dynamically changing hardware.

cs.ET↗

arXiv2009

Quantum Confinement and Phase Transition in PbS nanowire

We report first principles density functional calculations of electronic structures and energy bandgaps ($ΔE_g$) in PbS nanowires (NW). The $ΔE_g$ is tuned by varying the diameter of the NW - {\it revealing the role of quantum confinement}. The compressive radial strain (CS) on the NW is shown to be responsible for semiconducting to metallic phase transition. The conduction band (CB) of the NW, which has significant contribution from the excited 3{\it d}-orbital of S, is found to be more sensitive to the CS with the CB minimum shifting towards and eventually crossing the Fermi energy with increasing CS. The origin of the observed phase transition in a recent experiment is attributed to the CS on the PbS nanowire.

cond-mat.mes-hall↗

arXiv2008

Architecture of a massive parallel processing nano brain operating 100 billion molecular neurons simultaneously

Molecular machines may resolve three distinct bottlenecks of scientific advancement. Nanofactories (Phoenix, 2003) composed of MM may produce atomically perfect products spending negligible amount of energy (Hess, 2004) thus alleviating the energy crisis. Computers made by MM operating thousands of bits at a time may match biological processors mimicking creativity and intelligence (Hall, 2007), thus far considered as the prerogative of nature. State-of-the-art brain surgeries are not yet fatal-less, MMs guided by a nano-brain may execute perfect bloodless surgery (Freitas, 2005). Even though all three bottlenecks converge to a single necessity of nano-brain, futurists and molecular engineers have remained silent on this issue. Our recent invention of 16 bit parallel processor is a first step in this direction (Bandyopadhyay, 2008). However, the device operates inside ultra-high vacuum chamber. For practical application, one needs to design a 3 D standalone architecture. Here, we identify the minimum nano-brain functions for practical applications and try to increase the size from 2 nm to 20 micro-m.

cond-mat.dis-nn↗

arXiv2008

Origin of negative differential resistance in a strongly coupled single molecule-metal junction device

A new mechanism is proposed to explain the origin of negative differential resistance (NDR) in a strongly coupled single molecule-metal junction. A first-principles quantum transport calculation in a Fe-terpyridine linker molecule sandwiched between a pair of gold electrodes is presented. Upon increasing applied bias, it is found that a new phase in the broken symmetry wavefunction of the molecule emerges from the mixing of occupied and unoccupied molecular orbital. As a consequence, a non-linear change in the coupling between molecule and lead is evolved resulting to NDR. This model can be used to explain NDR in other class of metal-molecule junction device.

cond-mat.mes-hall↗