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Thermoelectric (TE) materials achieve localised conversion between thermal and electric energies, and the conversion efficiency is determined by a figure of merit zT. Up to date, two-dimensional electron gas (2DEG) related TE materials hold…

Ferroelectricity in the complementary metal-oxide semiconductor (CMOS)-compatible hafnia (HfO$_2$) is crucial for the fabrication of high-integration nonvolatile memory devices. However, the capture of ferroelectricity in HfO$_2$ requires…

Materials Science · Physics 2024-07-02 Hong Jian Zhao , Yuhao Fu , Longju Yu , Yanchao Wang , Yurong Yang , Laurent Bellaiche , Yanming Ma

An atomistic first-principles-based effective Hamiltonian is used to investigate energy storage in Ba(Zr$_{0.5}$Ti$_{0.5}$)O$_{3}$ relaxor ferroelectrics, both in their bulk and epitaxial films' forms, for electric fields applied along…

Materials Science · Physics 2022-01-11 Zhijun Jiang , Sergey Prosandee , L. Bellaiche

By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…

Materials Science · Physics 2011-03-03 Massimiliano Stengel , David Vanderbilt , Nicola A. Spaldin

Achieving high temperature ferromagnetism by doping transition metals thin films is seen as a viable approach to integrate spin-based elements in innovative spintronic devices. In this work we investigated the effect of Fe doping on…

Materials Science · Physics 2015-06-05 Alessio Lamperti , Elena Cianci , Roberta Ciprian , Davide Sangalli , Alberto Debernardi

In spite of being highly relevant for the development of a new generation of information storage devices, not many single-phase materials displaying magnetic and ferroelectric orders above room temperature are known. Moreover, these…

Ferroelectricity in sputtered undoped-HfO$_2$ is attractive for composition control for low power and non-volatile memory and logic applications. Unlike doped HfO$_2$, evolution of ferroelectricity with annealing and film thickness effect…

Hafnium oxide (HfO2)-based ferroelectrics offer remarkable promise for memory and logic devices in view of their compatibility with traditional silicon CMOS technology, high switchable polarization, good endurance and thickness scalability.…

Applied Physics · Physics 2020-04-29 Liam Collins , Umberto Celano

Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small energy difference of ~ 1 meV/f.u. between…

Materials Science · Physics 2014-10-22 Sebastian E. Reyes-Lillo , Kevin F. Garrity , Karin M. Rabe

This work reports back-end-of-line (BEOL) compatible, thin-film transistors (TFTs) with sub-10 nm tungsten-doped tin oxide (TWO) channels deposited by atomic layer deposition (ALD) at 150 $^\circ$C. TFTs with undoped SnO$_{\mathrm{x}}$,…

We have studied ferroelectricity and photovoltaic effects in atomic layer deposited (ALD) 40-nm thick SnTiO$_{x}$ films deposited directly onto p-type (001)Si substrate. These films showed well-saturated, square and repeatable hysteresis…

From extreme strain to bending, the possibilities in the manipulation of freestanding films of oxide perovskites bring a novel landscape to their properties and brings them one step closer to their application. It is therefore of great…

Ferroelectric (Fe) materials-based devices show great promise for non-volatile memory applications, yet few demonstrate reliable operation at elevated temperatures. In this work, we demonstrate Ni/Al0.68Sc0.32N/4H-SiC…

In hafnia-based thin-film ferroelectric devices, chemical phenomena during growth and processing such as oxygen vacancy formation and interfacial reactions appear to strongly affect device performance. However, the nanoscale structure,…

Doped HfO2 thin films exhibit robust ferroelectric properties even for nanometric thicknesses, are compatible with current Si technology and thus have great potential for the revival of integrated ferroelectrics. Phase control and…

In this work, we investigate the accumulative polarization (P) switching characteristics of ferroelectric (FE) thin films under the influence of sequential electric-field pulses. By developing a dynamic phase-field simulation framework…

Applied Physics · Physics 2019-06-26 Atanu K Saha , Kai Ni , Sourav Dutta , Suman Datta , and Sumeet Gupta

Over the last fifteen years, ferroelectric and antiferroelectric ultra thin films based on fluorite-structured materials have drawn significant attention for a wide variety of applications requiring high integration density.…

Fluorite-type $\mathrm{HfO_2}$-based ferroelectric (FE) oxides have rekindled interest in FE memories due to their compatibility with silicon processing and potential for high-density integration. The polarization characteristics of FE…

Alternating layers of granular Iron (Fe) and Titanium dioxide (TiO$_{2-\delta}$) were deposited on (100) Lanthanum aluminate (LaAlO$_3$) substrates in low oxygen chamber pressure using a controlled pulsed laser ablation deposition…

Materials Science · Physics 2007-05-23 Soack Dae Yoon , Carmine Vittoria , Vincent G. Harris , Allan Widom

Hf0.5Zr0.5O2 (HZO) is a promising candidate for next generation ferroelectric memories and transistors. However, its ferroelectricity origin is still under debate due to the complex of its phase and microstructure in practical samples. In…

Materials Science · Physics 2024-09-20 Xiaoyue Gao1 , Zhuohui Liu , Bo Han , Xiaowen Zhang , Ruilin Mao , Ruochen Shi , Ruixue Zhu , Jiangbo Lu , Tao Wang , Chen Ge , Peng Gao