相关论文: Strain engineering of ion migration in LiCoO2
In layered LiNixMnyCozO2 cathode material for lithium-ion batteries, the spins of transition metal (TM) ions construct a two-dimensional triangular networks, which can be considered as a simple case of geometrical frustration. By performing…
The recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under ambient-pressure in strained thin films raises the question of how superconductivity can be optimized through strain. In this work, we investigate the…
A new mechanism for memristive switching in 2D materials is through electric-field controllable electronic/structural phase transitions, but these devices have not outperformed status quo 2D memristors. Here, we report a high-performance…
We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…
The ability to control materials properties through interface engineering is demonstrated by the appearance of conductivity at the interface of certain insulators, most famously the {001} interface of the band insulators LaAlO$_{3}$ and…
Strain engineering has recently been explored to improve tunnel field-effect transistors (TFETs). Here, we report design and performance of strained ultra-thin-body (UTB) III-V TFETs by quantum transport simulations. It is found that for an…
Precise control of lattice mismatch accommodation and cation interdiffusion across the interface is critical to modulate correlated functionalities in epitaxial heterostructures, particularly when the interface composition is positioned…
Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. In this work, strain effect on the electronic band structure of phosphorene was studied using first…
Metal-insulator transitions (MIT),an intriguing correlated phenomenon induced by the subtle competition of the electrons' repulsive Coulomb interaction and kinetic energy, is of great potential use for electronic applications due to the…
SrCoO2.5 (SCO) is a charge transfer insulator with 3d6 ground state configuration leading to antiferromagnetic nature. It is observed that substrate induced strain engineering modifies the ground state of SCO thin film with 3d7L (L:O-2p…
Ion transport across solid solid interfaces is often slower than through the bulk of a material, impeding the charge and discharge rate of batteries. Designing highly conductive interfaces is challenging due to the need to probe ion…
Ultrafast light-matter interactions inspire potential functionalities in picosecond optoelectronic applications. However, achieving directional carrier dynamics in metals remains challenging due to strong carrier scattering within a…
Strain is a powerful tool to modify the optical properties of semiconducting transition metal dichalcogenides like MoS2, MoSe2, WS2 and WSe2. In this work we provide a thorough description of the technical details to perform uniaxial strain…
In the present work, we investigated the electronic and elastic properties in equilibrium and under strain of the type-II Dirac semimetal NiTe$_2$ using density functional theory (DFT). Our results demonstrate the tunability of Dirac nodes'…
Exploring how mechanical strain can modify the magnetic properties of low-dimensional structures is one of the priorities of straintronics, an area in condensed matter physics. It has been proven by calculating the parameters of magnetic…
Strain engineering has played a key role in modern silicon electronics, having been introduced as a mobility booster in the 1990s and commercialized in the early 2000s. Achieving similar advances with two-dimensional (2D) semiconductors in…
We introduce a generalizable, physics informed strategy for generating training data that enables a machine learning force field accurate over a broad range of twist angles and stacking layer numbers in moire systems. Applying this to…
As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…
Strain engineering has been extended recently to the ultrafast timescales, driving metal-insulator phase transitions and the propagation of ultrasonic demagnetization fronts. However, the non-linear lattice dynamics underpinning interfacial…
While the effects of lattice mismatch-induced strain, mechanical strain, as well as the intrinsic strain of thin films are sometimes detrimental, resulting in mechanical deformation and failure, strain can also be usefully harnessed for…