相关论文: A nonlinear hyperelasticity model for single layer…
In this work, we present a computational study on the possibility of strain engineering in monolayer Black Phosphorus (black P) and Blue Phosphorus (blue P) based MOSFETs. The material properties like band structure, carrier effective…
Black phosphorus (BP), an emerging two-dimensional (2D) material with intriguing optical properties, forms a promising building block in optics and photonics devices. In this work, we propose a simple structure composed of BP sandwiched by…
We develop the theory of anomalous elasticity in two-dimensional flexible materials with orthorhombic crystal symmetry. Remarkably, in the universal region, where characteristic length scales are larger than the rather small Ginzburg scale…
Exact solutions are derived for the problem of a two-dimensional, infinitely anisotropic, linear-elastic medium containing a periodic lattice of voids. The matrix material possesses either one infinitely soft, or one infinitely hard loading…
We study the effects of the uniaxial tensile strain and shear deformation as well as their combinations on the electronic properties of single-layer black phosphorene. The evolutions of the strain-dependent band gap are obtained using the…
In this work we study the intercalation of monolayer phosphorene with nitrogen, lithium and calcium for exploring prospects of spintronic applications. The electronic and the magnetic properties of the intercalated structure are…
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…
The engineering of the optical response of materials is a paradigm that demands microscopic-level accuracy and reliable predictive theoretical tools. Here we compare and contrast the dispersive permittivity tensor, using both a low-energy…
A novel computational framework for designing metamaterials with negative Poisson's ratio over a large strain range is presented in this work by combining the density-based topology optimization together with a mixed stress/deformation…
Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are routinely used in physics, chemistry, and crystallography to…
Black phosphorus and its single-layer constituent, phosphorene, have emerged as promising two-dimensional materials with remarkable tribological properties. However, recent experimental investigations revealed that the their lubricating…
In this work, we bridge standard adaptive mesh refinement and coarsening on scalable octree background meshes and robust unfitted finite element formulations for the automatic and efficient solution of large-scale nonlinear solid mechanics…
We study thermal fluctuations of a free-standing bilayer graphene subject to vanishing external tension. Within a phenomenological theory, the system is described as a stack of two continuum crystalline membranes, characterized by finite…
We calculate bending moduli along the principal directions for thirty-two select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering representative materials from each of Groups IV, V, III-V…
Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here we unveil by…
In this paper, we establish well-posed boundary and interface conditions for the relaxed micromorphic model that are able to unveil the scattering response of fully finite-size metamaterials' samples. The resulting relaxed micromorphic…
2D materials offer a large variety of optical properties, from transparency to plasmonic excitation. They can be structured and combined to form heterostructures that expand the realm of possibility to manipulate light interactions at the…
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…
Newly fabricated monolayer phosphorene and its few-layer structures are expected to be promising for electronic and optical applications because of their finite direct band gaps and sizable but anisotropic electronic mobility. By…
Limiting chain extensibility is a characteristic that plays a vital role in the stretching of highly elastic materials. The Gent model has been widely used to capture this behaviour, as it performs very well in fitting stress-stretch data…