相关论文: Structural stability of lattice-matched heterovale…

Semiconductor heterostructure is a critical building block for modern semiconductor devices. However, forming semiconductor heterostructures of lattice-mismatch has been a great challenge for several decades. Epitaxial growth is infeasible…

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable…

Epitaxy forms the basis of modern electronics and optoelectronics. We report coherent atomically-thin superlattices, in which different transition metal dichalcogenide monolayers--despite large lattice mismatches--are repeated and…

Epitaxial strain energies of epitaxial films and bulk superlattices are studied via first-principles total energy calculations using the local-density approximation. Anharmonic effects due to large lattice mismatch, beyond the reach of the…

We present a systematic approach to modeling the electrical and structural properties of charge-mismatched superlattices from first principles. Our strategy is based on bulk calculations of the parent compounds, which we perform as a…

Overlaying commensurate optical lattices with various configurations called superlattices can lead to exotic lattice topologies and, in turn, a discovery of novel physics. In this study, by overlapping the maxima of lattices, a new isolated…

Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another materials design concept. Hexagonal-type structures based on…

Engineered lattices in condensed matter physics, such as cold atom optical lattices or photonic crystals, can have fundamentally different properties from naturally-occurring electronic crystals. Here, we report a novel type of artificial…

We study a toy model for a superconductor on a bipartite lattice, where intrinsic pairing inhomogeneity is produced by two different coupling constants on the sublattices. The simplicity of the model allows for analytic solutions and tests…

We study a harmonic triangular lattice, which relaxes in the presence of a weak, short-wavelength periodic potential. Monte Carlo simulations reveal that the elastic lattice has only short-ranged positional correlations, despite the absence…

Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a…

Using an effective medium approach, we describe how by combining mercury-cadmium-telluride semiconductor alloys with band gap energies of opposite signs it may be possible to design a superlattice where the electrons have isotropic…

The existence and stability of defect solitons supported by parity-time (PT) symmetric superlattices with nonlocal nonlinearity are investigated. In the semi-infinite gap, in-phase solitons are found to exist stably for positive or zero…

The question of stability against diffusional mixing at the prototypical LaAlO3/SrTiO3(001) interface is explored using a multi-faceted experimental and theoretical approach. We combine analytical methods with a range of sensitivities to…

The strain states of the components of pseudomorphic superlattices can be accurately modeled analytically through the application of linear elasticity. In this particular case of GaN/AlN 'free-standing' superlattices, the predictions…

Lattice mismatch can substantially impact the spatial organization of heterogeneous materials. We examine a simple model for lattice-mismatched solids over a broad range of temperature and composition, revealing both uniform and spatially…

The metastable nature of the ferroelectric phase of HfO$_2$ is a significant impediment to its industrial application as a functional ferroelectric material. In fact, no polar phases exist in the bulk phase diagram of HfO$_2$, which shows a…

We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…

Emerging superionic conductors Li3InCl6 (LIC) and Li6PS5Cl (LPSC) are very promising for solid-state electrolytes (SSEs) in all-solid-state lithium batteries (ASSLBs). However, unstable lithium-anode interfaces in LIC and LPSC have been…

In semiconductor superlattices, when Bragg oscillating electrons interact with an input electromagnetic field, frequency multiplication is possible. An ideal superlattice has a purely antisymmetric voltage current response and can thus…