相关论文: Inversion Domain Boundaries in Wurzite GaN

We report a series of calculations testing the predictions of the Tran-Blaha functional for the electronic structure and magnetic properties of condensed systems. We find a general improvement in the properties of semiconducting and…

In this work, we study the inverse problem of analog gravity systems which admit rotation and energy-dependent boundary conditions. By extending two recent results, we provide a recipe that allows one to relate resonant transmission spectra…

The putative ground-state structures of 13-atom Cu and Ag clusters have been studied using ${\it ab \: initio}$ molecular-dynamics (AIMD) simulations based on the density-functional theory (DFT). An ensemble of low-energy configurations,…

A density functional study is presented of the interstitial Zn$_i$, Ge$_i$, and N$_i$ in ZnGeN$_2$. Corrections to the band gap are included by means of the LDA+U method. The Zn and Ge interstitials are both found to strongly prefer the…

We consider the quantisation of linearised fluctuations of the metric and matter fields about a Lifshitz background, exploring the possibility of alternative boundary conditions, allowing the slow fall-off modes to fluctuate. We find that…

Electrolysis is crucial for eco-friendly hydrogen production, but gas bubbles generated during the process hinder reactions, reduce cell efficiency, and increase energy consumption. Additionally, these gas bubbles cause changes in the…

We study the dynamics of the finite-temperature phase transition for warped Randall-Sundrum(RS)-like throat models related to the Klebanov-Tseytlin solution. We find that, for infrared branes stabilized near the tip of the throat, the…

This study offers a detailed analysis of domain wall formation and its cosmological consequences in Einstein-Gauss-Bonnet gravity coupled to a scalar field. A central aspect of the model is the scalar field Lagrangian's ability to…

A condensed review is presented for two basic topics in the theory of pattern formation in nonlinear dissipative media: (i) domain walls (DWs, alias grain boundaries), which appear as transient layers between different states occupying…

Intrinsic domain-wall resistance (DWR) in (Ga,Mn)As is studied theoretically and compared to experimental results. The recently developed model of spin transport in diluted ferromagnetic semiconductors [Van Dorpe et al., Phys. Rev. B 72,…

An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…

Several experiments suggest that the charge carriers in the normal state of certain cuprate superconductors reside on domain walls. In an earlier paper, we suggested that several aspects of the anomalous dynamical behavior of these…

We give upper and lower bounds for the ground-state energy of the infinite-U Hubbard model. In two dimensions, using these bounds we are able to rule out the possibility of phase separation between the undoped-insulating state and an…

Charge density wave (CDW) ordering in NbSe3 and the structurally related quasi one-dimensional compounds is reconsidered. Since the modulated ground state is characterized by unstable nano-domains, the structural information obtained from…

We report findings from several ab-initio, self-consistent calculations of electronic and transport properties of wurtzite aluminum nitride. Our calculations utilized a local density approximation (LDA) potential and the linear combination…

We show that collective dynamics of a curved domain wall in a (3+1)-dimensional relativistic scalar field model is represented by Nambu-Goto membrane and (2+1)-dimensional scalar fields defined on the worldsheet of the membrane. Our…

The wurtzite (wz) structure of CdS is analyzed using density functional theory within the generalized gradient approximation (GGA) and Hubbard correction (GGA+U). The total energy convergence evaluation is carried out concerning energy…

We apply the thermodynamic Bethe Ansatz to investigate the high energy behaviour of a class of scattering matrices which have recently been proposed to describe the Homogeneous sine-Gordon models related to simply laced Lie algebras. A…

We use density functional theory methods to study the electronic structures of a series of $s-p$ cubic perovskites $ABX_{3}$: the experimentally available SrBiO$_{3}$, BaBiO$_{3}$, BaSbO$_3$, CsTlF$_{3}$, and CsTlCl$_{3}$, as well as the…

We have developed a new global optimization method for the determination of interface structure based on the differential evolution algorithm. Here, we applied this method to search for the ground state atomic structures of the grain…