Related papers: Strain engineering of ion migration in LiCoO2
Reversible resistive switching between high-resistance and low-resistance states in metal-oxide-metal heterostructures makes them very interesting for applications in random access memories. While recent experimental work has shown that…
Multiple experiments have observed a sharp transition in the band structure of LaAlO$_3$/SrTiO$_3$ (001) interfaces as a function of applied gate voltage. This Lifshitz transition, between a single occupied band at low electron density and…
First-principles density functional theory based calculations have been performed to investigate the strain-induced modifications in the electronic and vibrational properties of monolayer (ML) ZnO. Wide range of in-plane tensile and…
Strain presents a straightforward tool to tune electronic properties of atomically thin nanomaterials that are highly sensitive to lattice deformations. While the influence of strain on the electronic band structure has been intensively…
Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they…
Due to the distinguished properties offered by different structural phases of monolayer MoS2, phase engineering design are urgently required for achieving switchable structural phase. Strain engineering is widely accepted as a clean and…
We propose a novel protocol of low-temperature, strain-tuned re-entrant metal-insulator transition and crossover between strongly correlated line-graph lattices (Lieb and Kagome). Using a non-perturbative numerical approach, we demonstrate…
The outstanding mechanical properties of high-manganese steels (HMnS) are a result of their high strain-hardenability. That is facilitated by strong suppression of dynamic recovery, predominant planar glide, and the activation of additional…
V$_{2}$O$_{5}$ in its $\omega$ phase (Li$_{3}$V$_{2}$O$_{5}$) with excess lithium is a potential alternative to the graphite anode for lithium-ion batteries at low temperature and fast charging conditions due to its safer voltage (0.6 V vs…
Slip intermittency and stress oscillations in titanium alloy Ti-7Al-O that were observed using in-situ far-field high energy X-ray diffraction microscopy (ff-HEDM) are investigated using a discrete dislocation plasticity (DDP) model. The…
Frustrated antiferromagnets offer a captivating platform to study the intricate relationship of magnetic interactions, geometric constraints, and emergent phenomena. By controlling spin orientations, these materials can be tailored for…
The great potential of memristive devices for real-world applications still relies on overcoming key technical challenges, including the need for a larger number of stable resistance states, faster switching speeds, lower SET/RESET…
We report studies on the vibrational and elastic behavior of lithium oxide, Li2O around its superionic transition temperature. Phonon frequencies calculated using the ab-initio and empirical potential model are in excellent agreement with…
A novel defect control approach based on laminated HfO$_2$/ZrO$_2$ with multifunctional TiN/Mo/TiOxNy electrode is proposed to significantly improve the endurance and data retention in HZO-based ferroelectric capacitor. The O-rich interface…
Strain engineering in single-layer semiconducting transition metal dichalcogenides aims to tune their bandgap energy and to modify their optoelectronic properties by the application of external strain. In this paper we study transition…
Motivated by the need to understand the role of internal interfaces in Li migration occurring in Li-ion batteries, a first principles study of a coincident site lattice grain boundary in LiFePO4 cathode material and in its delithiated…
The effects of ferroic distortion and biaxial strain on the band gap and band edges of SrTiO$_{3}$ (STO) are calculated using density functional theory and many-body perturbation theory. Anisotropic strains are shown to reduce the gap by…
The grain boundaries, GBs, of corundum Cr2O3 are known to play an important role in the diffusion of ions within the oxide, which is an important phenomenon for the corrosion of the stainless steels. The extent of the growth of oxide layers…
Cubic spinel Li$_{\rm 1+x}$Ti$_2$O$_4$ is a promising electrode material as it exhibits a high lithium diffusivity and undergoes minimal changes in lattice parameters during lithiation and delithiation, thereby ensuring favorable…
Driving non-superconducting materials into a superconducting state through specific modulation is a key focus in the field of superconductivity. Pressure is a powerful method that can switch a three-dimensional (3D) material between…