Influence of Biaxial Strain and Interfacial Layer Growth on Ferroelectric Wake-Up and Phase Transition Fields in ZrO.

Investigations on fluorite-structured ferroelectric HfO/ZrO thin films are aiming to achieve high-performance films required for memory and computing technologies. These films exhibit excellent scalability and compatibility with the complementary metal-oxide semiconductor process used by semiconductor foundries, but stabilizing ferroelectric properties with a low operation voltage in the as-fabricated state of these films is a critical component for technology advancement. After removing the influence of interfacial layers, a linear correlation is observed between the biaxial strain and the electric field for transforming the nonferroelectric tetragonal to the ferroelectric orthorhombic phase in ZrO thin films.

Stabilizing the ferroelectric phase in HfO-based films sputtered from ceramic targets under ambient oxygen.

Thin film metal-insulator-metal capacitors with undoped hafnium oxide and a mixture of hafnium and zirconium oxides are prepared by sputtering from ceramic targets. The influence of the oxygen concentration while sputtering and of the zirconium concentration on the ferroelectric properties is characterized by electrical and structural methods. Depending on the ambient oxygen, the thin undoped hafnium oxide films show distinct ferroelectric properties.

Optimizing the Piezoelectric Strain in ZrO- and HfO-Based Incipient Ferroelectrics for Thin-Film Applications: An Ab Initio Dopant Screening Study.

HfO and ZrO have increasingly drawn the interest of researchers as lead-free and silicon technology-compatible materials for ferroelectric, pyroelectric, and piezoelectric applications in thin films such as ferroelectric field-effect transistors, ferroelectric random access memories, nanoscale sensors, and energy harvesters. Owing to the environmental regulations against lead-containing electronic components, HfO and ZrO offer, along with AlN, (K,Na)NbO- and (BiNa)TiO-based materials, an alternative to Pb(ZrTi)O-based materials, which are the overwhelmingly used ceramics in industry. HfO and ZrO thin films may show field-induced phase transformation from the paraelectric tetragonal to the ferroelectric orthorhombic phase, leading to a change in crystal volume and thus strain.

Ferroelectricity and antiferroelectricity of doped thin HfO2-based films.

The recent progress in ferroelectricity and antiferroelectricity in HfO2-based thin films is reported. Most ferroelectric thin film research focuses on perovskite structure materials, such as Pb(Zr,Ti)O3, BaTiO3, and SrBi2Ta2O9, which are considered to be feasible candidate materials for non-volatile semiconductor memory devices. However, these conventional ferroelectrics suffer from various problems including poor Si-compatibility, environmental issues related to Pb, large physical thickness, low resistance to hydrogen, and small bandgap.

A density functional theory model of mechanically activated silyl ester hydrolysis.

To elucidate the mechanism of the mechanically activated dissociation of chemical bonds between carboxymethylated amylose (CMA) and silane functionalized silicon dioxide, we have investigated the dissociation kinetics of the bonds connecting CMA to silicon oxide surfaces with density functional calculations including the effects of force, solvent polarizability, and pH. We have determined the activation energies, the pre-exponential factors, and the reaction rate constants of candidate reactions. The weakest bond was found to be the silyl ester bond between the silicon and the alkoxy oxygen atom.

Mechanically induced silyl ester cleavage under acidic conditions investigated by AFM-based single-molecule force spectroscopy in the force-ramp mode.

AFM-based dynamic single-molecule force spectroscopy was used to stretch carboxymethylated amylose (CMA) polymers, which have been covalently tethered between a silanized glass substrate and a silanized AFM tip via acid-catalyzed ester condensation at pH 2.0. Rupture forces were measured as a function of temperature and force loading rate in the force-ramp mode.

Single-molecule force-clamp experiments reveal kinetics of mechanically activated silyl ester hydrolysis.

We have investigated the strength of silyl ester bonds formed between carboxymethylated amylose (CMA) molecules and silane-functionalized silicon oxide surfaces using AFM-based single-molecule force spectroscopy in the force-clamp mode. Single tethered CMA molecules were picked up, and bond lifetimes were determined at constant clamp forces of 0.8, 1.

Mechanically activated rupture of single covalent bonds: evidence of force induced bond hydrolysis.

We have used temperature-dependent single molecule force spectroscopy to stretch covalently anchored carboxymethylated amylose (CMA) polymers attached to an amino-functionalized AFM cantilever. Using an Arrhenius kinetics model based on a Morse potential as a one-dimensional representation of covalent bonds, we have extracted kinetic and structural parameters of the bond rupture process. With 35.