相关论文: Inversion Domain Boundaries in Wurzite GaN

Weakly pumped systems with approximate conservation laws can be efficiently described by a generalized Gibbs ensemble if the steady state of the system is unique. However, such a description can fail if there are multiple steady state…

A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots. As a minimal basis set we assume one s-orbital and three…

A system of neutral atoms trapped in an optical lattice and dispersively coupled to the field of an optical cavity can realize a variation of the Bose-Hubbard model with infinite-range interactions. This model exhibits a first order quantum…

Domain walls (DWs) in ferroic materials, across which the order parameter abruptly changes its orientation, can host emergent properties that are absent in the bulk domains. Using a broadband ($10^6-10^{10}$ Hz) scanning impedance…

GaN based high electron mobility transistors show promise in numerous device applications which elicits the need for accurate models of bulk, surface, and interface electronic properties. We detail here a hybrid density functional theory…

The buckled structure of silicene leads to the possibility of new kinds of line defects that separate regions with reversed buckled phases. In the present work we show that these new grain boundaries have very low formation energies, one…

Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here…

Using the density functional theory (DFT) with the generalized gradient approximation (GGA), the structural and electronic properties of wurtzite AlN, GaN, InN, and their related alloys, Al$_x$Ga$_{1-x}$N and In$_x$Ga$_{1-x}$N, were…

The investigation of small size embedded nanostructures, by a combination of complementary anomalous diffraction techniques, is reported. GaN Quantum Dots (QDs), grown by molecular beam epitaxy in a modified Stranski-Krastanow mode, are…

In pattern-forming systems, competition between patterns with different wave numbers can lead to domain structures, which consist of regions with differing wave numbers separated by domain walls. For domain structures well above threshold…

Lattice defects are inevitably present in two-dimensional materials, with direct implications on their physical and chemical properties. We show that the formation energy of a lattice defect in buckled two-dimensional crystals is not…

The wurtzite phase group III-Nitrides (AlN, GaN, InN) have attracted great interest due to their successful applications in the optoelectronics since the 90's. In this paper we perform a comprehensive study of AlN, GaN and InN structural…

We consider the hard-core lattice gas model on Z^d and investigate its phase structure in high dimensions. We prove that when the intensity parameter exceeds Cd^{-1/3}(log d)^2, the model exhibits multiple hard-core measures, thus improving…

In this paper a systematic examination of graphene/hexagonal boron nitride (g/hBN) bilayers is presented, through a recently developed two-dimensional phase field crystal model that incorporates out-of-plane deformations. The system…

The accurate absolute surface energies of (0001)/(000-1) surfaces of wurtzite structures are crucial in determining the thin film growth mode of important energy materials. However, the surface energies still remain to be solved due to the…

We have investigated the interaction of oxygen vacancies and 180-degree domain walls in tetragonal PbTiO3 using density-functional theory. Our calculations indicate that the vacancies do have a lower formation energy in the domain wall than…

A fundamental obstacle toward the realization of GaN p-channel transistors is its low hole mobility. Here we investigate the intrinsic phonon-limited mobility of electrons and holes in wurtzite GaN using the ab initio Boltzmann transport…

A microscopic theory for the generation and propagation of coherent LA phonons in pseudomorphically strained wurzite (0001) InGaN/GaN multi-quantum well (MQW) p-i-n diodes is presented. The generation of coherent LA phonons is driven by…

The changes in excitation dependence of efficiency with temperature is modeled for a wurtzite InGaN light-emitting diode. The model incorporates bandstructure changes with carrier density arising from screening of quantum-confined Stark…

We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves and pseudopotentials. For comparison we also report the study…