相关论文: Heterostructure Engineering for Wurtzite LaN
Ferroelectric switching is unambigiously demonstrated for the first time in a III-V semiconductor based material: AlScN -- A discovery which could help to satisfy the urgent demand for thin film ferroelectrics with high performance and good…
III-nitrides and related alloys are widely used for optoelectronics and as acoustic resonators. Ferroelectric wurtzite nitrides are of particular interest because of their potential for direct integration with Si and wide bandgap…
Heterostructure engineering provides an efficient way to obtain several unconventional phases of LaNiO3, which is otherwise paramagnetic, metallic in bulk form. In this work, a new class of short periodic superlattices, consisting of LaNiO3…
High-strain piezoelectric materials are often ceramics with a complicated constitution. In particular, PZT is used with compositions near to a so-called morphotropic phase boundary, where not only different variants of the same phase…
The interfacial structure of SrZr$_{x}$Ti$_{1-x}$O$_3$ films grown on semiconducting Ge substrates are investigated by synchrotron X-ray diffraction and first-principles density functional theory. By systematically tuning Zr content x, the…
We design a hybrid graphene/hexagonal boron nitride superlattice monolayer and investigate its thermoelectric properties using density functional theory and Boltzmann transport equations with the relaxation time accurately treated by…
We study the molecular beam epitaxy of self-assembled Al$\mathrm{_{1-x}}$Sc$\mathrm{_{x}}$N nanowires on conductive TiN layers and demonstrate their application in piezoelectric nanogenerators. Wurtzite Al$\mathrm{_{1-x}}$Sc$\mathrm{_{x}}$N…
The checkerboard lattice has been proposed to host topological flat bands as a result of destructive interference among its various electronic hopping terms. However, it has proven challenging to realize experimentally due to the difficulty…
When two-dimensional crystals are brought into close proximity, their interaction results in strong reconstruction of electronic spectrum and local crystal structure. Such reconstruction strongly depends on the twist angle between the two…
This research work introduces the DFT through FP-LAPW+lo technique in WIEN2k software to obtain information about structural, thermoelectric, and optoelectronic characteristics of CaZnC and CaZnSi materials. The structural optimization was…
A theoretical investigation of the excess energy dissipation of highly excited photoinjected electrons in both wurtzite and zincblende GaN is presented. The calculations are performed by solving numerically coupled quantum transport…
Heterostructures consisting of alternating GaN/AlN epitaxial layers represent the building-blocks of state-of-the-art devices employed for active cooling and energy-saving lightning. Insights into the heat conduction of these structures are…
The large variety of 2D materials and their co-integration in van der Waals (vdW) heterostructures enable innovative device engineering. In addition, their atomically-thin nature promotes the design of artificial materials by proximity…
Carbon and nitrogen austenites, modeled by Fe8N and Fe8C superstructures are studied by full-potential LAPW method. Structure parameters, electronic and magnetic properties as well as hyperfine interaction parameters are obtained.…
We present a finite-strain model that is capable of describing the large deformations in bent nanowire heterostructures. The model incorporates a nonlinear strain formulation derived from the first Piola-Kirchhoff stress tensor, coupled…
Van der Waals (vdW) heterostructures, which combine bi-dimensional materials of different properties, enable a range of quantum phenomena. Here, we present a comparative study between the electronic properties of mono- and bi-layer of…
Epitaxially-grown semiconductor heterostructures give the possibility to tailor the potential landscape for the carriers in a very controlled way. In planar lattice-matched heterostructures, the potential has indeed a very simple and easily…
The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…
Many commonly used nearest neighbor tight binding models for cubic semiconductors often result in inaccurate band structures when transferred to hexagonal polytypes. The resulting bandgaps are systematically too small, and in some cases…
The strain and electric fields present in free-standing AlGaN/GaN slabs are examined theoretically within the framework of fully-coupled continuum elastic and dielectric models. Simultaneous solutions for the electric field and strain…