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Atanu K. Saha

Publications and source records attributed to Atanu K. Saha.

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Small Signal Capacitance in Ferroelectric HZO: Mechanisms and Physical Insights

This study presents a theoretical investigation of the physical mechanisms governing small signal capacitance in ferroelectrics, focusing on Hafnium Zirconium Oxide. Utilizing a time-dependent Ginzburg Landau formalism-based 2D multi-grain phase-field simulation framework, we simulate the capacitance of metal-ferroelectric-insulator-metal (MFIM) capacitors. Our simulation methodology closely mirrors the experimental procedures for measuring ferroelectric small signal capacitance, and the outcomes replicate the characteristic butterfly capacitance-voltage behavior. We delve into the components of the ferroelectric capacitance associated with the dielectric response and polarization switching, discussing the primary physical mechanisms - domain bulk response and domain wall response - contributing to the butterfly characteristics. We explore their interplay and relative contributions to the capacitance and correlate them to the polarization domain characteristics. Additionally, we investigate the impact of increasing domain density with ferroelectric thickness scaling, demonstrating an enhancement in the polarization capacitance component (in addition to the dielectric component). We further analyze the relative contributions of the domain bulk and domain wall responses across different ferroelectric thicknesses. Lastly, we establish the relation of polarization capacitance components to the capacitive memory window (for memory applications) and reveal a non-monotonic dependence of the maximum memory window on HZO thickness.

cond-mat.mtrl-sci

Direction-Dependent Lateral Domain Walls in Ferroelectric Hafnium Zirconium Oxide and their Gradient Energy Coefficients: A First Principles Study

To understand and harness the physical mechanisms of ferroelectric Hafnium Zirconium Oxide (HZO)-based devices, there is a need for clear understanding of domain interactions, their dynamics, negative capacitance effects, and other multi-domain characteristics. These crucial attributes depend on the coupling between neighboring domains quantified by the gradient energy coefficient (g). Furthermore, HZO has unique orientation-dependent lateral multidomain configurations. To develop an in-depth understanding of multi-domain effects, there is a need for thorough analysis of g. In this work, the energetics of multidomain configurations and domain growth mechanism corresponding to lateral domain walls of HZO are analyzed and gradient energy coefficients are quantified using first-principles Density Functional Theory calculations. These results indicate that one lateral direction exhibits the following characteristics: i) DW is ultra-sharp and domain growth occurs unit-cell-by-unit-cell, ii) the value of g is negative and in the order of $10^{-12} Vm^{3}C^{-1}$, and iii) g reduces (increases) with compressive (tensile) strain. In contrast, in the other lateral direction, the following attributes are observed: i) DW is gradual and domain growth occurs in quanta of half-unit-cell, ii) g is positive and in the order of $10^{-10} Vm^{3}C^{-1}$, and iii) g increases (reduces) with compressive (tensile) strain.

cond-mat.mtrl-sci

Head-to-Head and Tail-to-Tail Domain Wall in Hafnium Zirconium Oxide: A First Principles Analysis of Domain Wall Formation and Energetics

180° domains walls (DWs) of Head-to-Head/Tail-to-Tail (H-H/T-T) type in ferroelectric (FE) materials are of immense interest for a comprehensive understanding of the FE attributes as well as harnessing them for new applications. Our first principles calculation suggests that such DW formation in Hafnium Zirconium Oxide (HZO) based FEs depends on the unique attributes of the HZO unit cell, such as polar-spacer segmentation. Cross pattern of the polar and spacer segments in two neighboring domains along the polarization direction (where polar segment of one domain aligns with the spacer segment of another) boosts the stability of such DWs. We further show that low density of oxygen vacancies at the metal-HZO interface and high work function of metal electrodes are conducive for T-T DW formation. On the other hand, high density of oxygen vacancy and low work function of metal electrode favor H-H DW formation. Polarization bound charges at the DW get screened when band bending from depolarization field accumulates holes (electrons) in T-T (H-H) DW. For a comprehensive understanding, we also investigate their FE nature and domain growth mechanism. Our analysis suggests that a minimum thickness criterion of domains has to be satisfied for the stability of H-H/T-T DW and switching of the domains through such DW formation.

cond-mat.mtrl-sci

ADRA: Extending Digital Computing-in-Memory with Asymmetric Dual-Row-Activation

Computing in-memory (CiM) has emerged as an attractive technique to mitigate the von-Neumann bottleneck. Current digital CiM approaches for in-memory operands are based on multi-wordline assertion for computing bit-wise Boolean functions and arithmetic functions such as addition. However, most of these techniques, due to the many-to-one mapping of input vectors to bitline voltages, are limited to CiM of commutative functions, leaving out an important class of computations such as subtraction. In this paper, we propose a CiM approach, which solves the mapping problem through an asymmetric wordline biasing scheme, enabling (a) simultaneous single-cycle memory read and CiM of primitive Boolean functions (b) computation of any Boolean function and (c) CiM of non-commutative functions such as subtraction and comparison. While the proposed technique is technology-agnostic, we show its utility for ferroelectric transistor (FeFET)-based non-volatile memory. Compared to the standard near-memory methods (which require two full memory accesses per operation), we show that our method can achieve a full scale two-operand digital CiM using just one memory access, leading to a 23.2% - 72.6% decrease in energy-delay product (EDP).

cs.AR

Multi-domain Polarization Switching in Hf0.5Zr0.5O2-Dielectric Stack: The Role of Dielectric Thickness

We investigate the polarization switching mechanism in ferroelectric-dielectric (FE-DE) stacks and its dependence on the dielectric thickness (TDE). We fabricate HZO-Al2O3 (FE-DE) stack and experimentally demonstrate a decrease in remnant polarization and an increase in coercive voltage of the FE-DE stack with an increase in TDE. Using phase-field simulations, we show that an increase in TDE results in a larger number of reverse domains in the FE layer to suppress the depolarization field, which leads to a decrease in remanent polarization and an increase in coercive voltage. Further, the applied voltage-driven polarization switching suggests domain-nucleation dominant characteristics for low TDE, and domain-wall motion-induced behavior for higher TDE. In addition, we show that the hysteretic charge-voltage characteristics of the FE layer in the FE-DE stack exhibit a negative slope region due to the multi-domain polarization switching in the FE layer. Based on our analysis, the trends in charge-voltage characteristics of the FE-DE stack with respect to different TDE (which are out of the scope of single-domain models) can be described well with multi-domain polarization switching mechanisms.

physics.app-ph

$α$-In$_2$Se$_3$ based Ferroelectric-Semiconductor Metal Junction for Non-Volatile Memories

In this work, we theoretically and experimentally investigate the working principle and non-volatile memory (NVM) functionality of 2D $α$-In$_2$Se$_3$ based ferroelectric-semiconductor-metal-junction (FeSMJ). First, we analyze the semiconducting and ferroelectric properties of $α$-In$_2$Se$_3$ van-der-Waals (vdW) stack via experimental characterization and first-principle simulations. Then, we develop a FeSMJ device simulation framework by self-consistently solving Landau-Ginzburg-Devonshire (LGD) equation, Poisson's equation, and charge-transport equations. Based on the extracted FeS parameters, our simulation results show good agreement with the experimental characteristics of our fabricated $α$-In$_2$Se$_3$ based FeSMJ. Our analysis suggests that the vdW gap between the metal and FeS plays a key role to provide FeS polarization-dependent modulation of Schottky barrier heights. Further, we show that the thickness scaling of FeS leads to a reduction in read/write voltage and an increase in distinguishability. Array-level analysis of FeSMJ NVM suggests a 5.47x increase in sense margin, 18.18x reduction in area and lower read-write power with respect to Fe insulator tunnel junction (FTJ).

physics.app-ph

A Ferroelectric Semiconductor Field-Effect Transistor

Ferroelectric field-effect transistors employ a ferroelectric material as a gate insulator, the polarization state of which can be detected using the channel conductance of the device. As a result, the devices are of potential to use in non-volatile memory technology, but suffer from short retention times, which limits their wider application. Here we report a ferroelectric semiconductor field-effect transistor in which a two-dimensional ferroelectric semiconductor, indium selenide (α-In2Se3), is used as the channel material in the device. α-In2Se3 was chosen due to its appropriate bandgap, room temperature ferroelectricity, ability to maintain ferroelectricity down to a few atomic layers, and potential for large-area growth. A passivation method based on the atomic-layer deposition of aluminum oxide (Al2O3) was developed to protect and enhance the performance of the transistors. With 15-nm-thick hafnium oxide (HfO2) as a scaled gate dielectric, the resulting devices offer high performance with a large memory window, a high on/off ratio of over 108, a maximum on-current of 862 μA μm-1, and a low supply voltage.

physics.app-ph

Room Temperature Electrocaloric Effect in Layered Ferroelectric CuInP2S6 for Solid State Refrigeration

A material with reversible temperature change capability under an external electric field, known as the electrocaloric effect (ECE), has long been considered as a promising solid-state cooling solution. However, electrocaloric (EC) performance of EC materials generally is not sufficiently high for real cooling applications. As a result, exploring EC materials with high performance is of great interest and importance. Here, we report on the ECE of ferroelectric materials with van der Waals layered structure (CuInP2S6 or CIPS in this work in particular). Over 60% polarization charge change is observed within a temperature change of only 10 K at Curie temperature. Large adiabatic temperature change (|ΔT|) of 3.3 K, isothermal entropy change (|ΔS|) of 5.8 J kg-1 K-1 at |ΔE|=142.0 kV cm-1 at 315 K (above and near room temperature) are achieved, with a large EC strength (|ΔT|/|ΔE|) of 29.5 mK cm kV-1. The ECE of CIPS is also investigated theoretically by numerical simulation and a further EC performance projection is provided.

cond-mat.mtrl-sci