arXiv subjects

Yogesh Singh Chauhan

Publications and source records attributed to Yogesh Singh Chauhan.

26 records · Page 2Linked to original sources

arXiv2020

Variability Analysis in a 3-D Multi-Granular Hf$_x$Zr$_{1-x}$O$_2$ Ferroelectric Capacitor

A simulation-based study of variability of remnant polarization $\left (P_r \right)$ in a multi-granular 3-D ultra-thin ferroelectric (FE) capacitor is presented in this paper. The Poisson Voronoi Tessellation Diagram (PVD) is used for the nucleation of grains in the FE region, which corresponds to the physical growth mechanism. The PVD algorithm implemented in MATLAB is coupled with TCAD simulations, to trace the ferroelectric hysteresis loop. It is found that the grains which have linear profile of $P_r$ show larger variability in the FE hysteresis loop, compared to the grains, which follow the Gaussian distribution of $P_r$. Additionally, the impact of dielectric content in the FE grains is analyzed. It is seen that the dielectric grains cause very large amount of variability in the FE hysteresis loop. An increase in the dielectric grains also leads to a loss in the retentivity of the hysteresis loop.

physics.app-ph↗

arXiv2020

Analytical modeling and Dynamics of Multi-Domains in Negative-Capacitance MFIS-FETs

Analytical modeling and dynamics of multidomain in metal-ferroelectric-insulator-semiconductor (MFIS)-FETs are presented in this paper. The formation of multi-domain (MD) leads to oscillations in the conduction band in the channel and periodicity in the local electric field in the ferroelectric region. The impact of 2-D local electric field on the MD switching is captured in the model using the domain wall velocity concept. The optimum values of oxide thickness, ferroelectric thickness and channel length are calculated which corresponds to mono-domain device operation. Deviation from the optimum device parameters causes the transition of mono-domain state to multi-domain state in the ferroelectric. This work can be used as a guideline for designing MFIS-NCFETs, which provides the device parameters that leads to monodomain state in the MFIS-NCFET.

physics.app-ph↗

arXiv2019

Intrinsic magnetism in monolayer transition metal trihalides: a comparative study

Two dimensional magnetic materials, with tunable electronic properties could lead to new spintronic, magnetic and magneto-optic applications. Here, we explore intrinsic magnetic ordering in two dimensional monolayers of transition metal tri-halides (MX$_3$, M = V, Cr, Mn, Fe and Ni, and X = F, Cl, Br and I), using density functional theory. We find that other than FeX$_3$ family which has an anti-ferromagnetic ground state, rest of the trihalides are ferromagnetic. Amongst these the VX$_3$ and NiX$_3$ family are found to have the highest magnetic transition temperature, beyond the room temperature. In terms of electronic properties, the tri-halides of Mn and Ni are either half metals or Dirac half metals, while the tri-halides of V, Fe and Cr are insulators. Among all the trihalides studied in this paper, we find the existence of very clean spin polarized Dirac half metallic state in MnF$_3$, MnCl$_3$, MnBr$_3$, NiF$_3$ and NiCl$_3$. These spin polarized Dirac half metals will be immensely useful for spin-current generation and other spintronic applications.

cond-mat.mtrl-sci↗

arXiv2019

Interlayer decoupling in twisted bilayers of $β$-phosphorus and arsenic: a computational study

We investigate magnetism and band structure engineering in Moiré superlattice of blue phosphorus ($β$-P) and grey arsenene ($β$-As) bilayers, using \textit{ab initio} calculations. The electronic states near the valence and conduction band edges have significant $p_z$ character in both the bilayers. Thus, twisting the layers significantly reduce the interlayer orbital overlap, leading to a decrease in the binding energy (up to $\sim33\%$) and an increase in interlayer distance (up to $\sim10\%$), compared to the most stable AA-stacking. This interlayer decoupling also results in a notable increase (up to $\sim$25-50\%) of the bandgap of twisted bilayers, with the valance band edge becoming relatively flat with van-Hove singularities in the density of states. Thus, hole doping induces a Stoner instability, leading to ferromagnetic ground state, which is more robust in Moiré superlattices, than that of AA-stacked $β$-P and $β$-As.

cond-mat.mtrl-sci↗

arXiv2018

Strain-tunable charge carrier mobility of atomically thin phosphorus allotropes

We explore the impact of strain on charge carrier mobility of monolayer $α$, $β$, $γ$ and $δ$-P, the four well known atomically thin allotropes of phosphorus, using density functional theory. Owing to the highly anisotropic band dispersion, the charge carrier mobility of the pristine allotropes is significantly higher (more than 5 times in some cases) in one of the principal directions (zigzag or armchair) as compared to the other. Uniaxial strain (upto 6% compressive/tensile) leads to bandgap alteration in each of the allotropes, especially a direct to indirect bandgap semiconductor transition in $γ$-P and a complete closure of the bandgap in $γ$ and $δ$-P. We find that the charge carrier mobility is enhanced typically by a factor of $\approx 5-10$ in all the allotropes due to uniaxial strain; notably among them a $\approx 250$ (30) times increase of the hole (electron) mobility along the armchair (zigzag) direction is observed in $β$-P ($γ$-P) under a compressive strain, acting in the armchair direction. Interestingly, the preferred electronic conduction direction can also be changed in case of $α$ and $γ$-P, by applying strain.

cond-mat.mtrl-sci↗

arXiv2017

Anisotropic plasmons, excitons and electron energy loss spectroscopy of phosphorene

In this article, we explore the anisotropic electron energy loss spectrum (EELS) in monolayer phosphorene based on ab-initio time dependent density functional theory calculations. Similar to black phosphorous, the EELS of undoped monolayer phosphorene is characterized by anisotropic excitonic peaks for energies in vicinity of the bandgap, and by interband plasmon peaks for higher energies. On doping, an additional intraband plasmon peak also appears for energies within the bandgap. Similar to other two dimensional systems, the intraband plasmon peak disperses as $ω_{\rm pl} \propto \sqrt{q}$ in both the zigzag and armchair directions in the long wavelength limit, and deviates for larger wavevectors. The anisotropy of the long wavelength plasmon intraband dispersion is found to be inversely proportional to the square root of the ratio of the effective masses: $ω_{\rm pl}(q \hat{y})/ω_{\rm pl}(q \hat{x}) = \sqrt{m_x/m_y}$.

cond-mat.mes-hall↗

arXiv2016

Thickness and electric field dependent polarizability and dielectric constant in phosphorene

Based on extensive first principle calculations, we explore the thickness dependent effective di- electric constant and slab polarizability of few layer black phosphorene. We find that the dielectric constant in ultra-thin phosphorene is thickness dependent and it can be further tuned by applying an out of plane electric field. The decreasing dielectric constant with reducing number of layers of phosphorene, is a direct consequence of the lower permittivity of the surface layers and the in- creasing surface to volume ratio. We also show that the slab polarizability depends linearly on the number of layers, implying a nearly constant polarizability per phosphorus atom. Our calculation of the thickness and electric field dependent dielectric properties will be useful for designing and interpreting transport experiments in gated phosphorene devices, wherever electrostatic effects such as capacitance, charge screening etc. are important.

cond-mat.mes-hall↗

arXiv2015

Effective Doping of Monolayer Phosphorene by Surface Adsorption of Atoms for Electronic and Spintronic Applications

We study the effect of surface adsorption of 27 different adatoms on the electronic and magnetic properties of monolayer black phosphorus using density functional theory. Choosing a few representative elements from each group, ranging from alkali metals (group I) to halogens (group VII), we calculate the band structure, density of states, magnetic moment and effective mass for the energetically most stable location of the adatom on monolayer phosphorene. We predict that group I metals (Li, Na, K), and group III adatoms (Al, Ga, In) are effective in enhancing the n-type mobile carrier density, with group III adatoms resulting in lower effective mass of the electrons, and thus higher mobilities. Furthermore we find that the adatoms of transition metals Ti and Fe, produce a finite magnetic moment (1.87 and 2.31 $μ_B$) in monolayer phosphorene, with different band gap and electronic effective masses (and thus mobilities), which approximately differ by a factor of 10 for spin up and spin down electrons opening up the possibility for exploring spintronic applications.

cond-mat.mes-hall↗