相关论文: Universal Stability of Ga Split Vacancies across \…
The relationship between the pseudogap and superconductivity remains a central puzzle in the physics of cuprates. Hydrostatic pressure provides a clean tuning parameter free from chemical disorder, yet probing the microscopic energy scales…
We have performed accurate \emph{ab--initio} pseudopotential calculations for the structural and electronic properties of ZnSe/GaAs(001) heterostructures with interface configurations accounting for charge neutrality prescriptions. Beside…
The structural and electronic properties of the wurtzite phase of the InAs and GaAs compounds are, for the first time, studied within the framework of Density Functional Theory (DFT). We used the full-potential linearized augmented plane…
We investigate the behavior of oxygen vacancies in three different metal-oxide semiconductors (rutile and anatase TiO2, monoclinic WO3, and tetragonal ZrO2) using a recently proposed hybrid density-functional method in which the fraction of…
We investigate the structural, electronic, vibrational, power and transport properties of the $\beta$ allotrope of Ga$_2$O$_3$ from first-principles. We find phonon frequencies and elastic constants that reproduce the correct band ordering,…
The hexagonal-2H crystal phase of Ge recently emerged as a promising direct bandgap semiconductor in the mid-infrared range providing new prospects of additional optoelectronic functionalities of group-IV semiconductors (Ge and SiGe). The…
In this work, we show that for all statistical estimation problems, a natural MMSE instability (discontinuity) condition implies the failure of stable algorithms, serving as a version of OGP for estimation tasks. Using this criterion, we…
We present a purely-radiative hydrodynamic model of the kappa-mechanism that sustains radial oscillations in Cepheid variables. We determine the physical conditions favourable for the kappa-mechanism to occur by the means of a configurable…
Gapless superconductivity can arise when pairing occurs between fermion species with different Fermi surface sizes, provided there is a sufficiently large mismatch between Fermi surfaces and/or at sufficiently large coupling constant. In…
Hydroxyapatite (HAp) is a widely used biomaterial for the preparation of bone and dental implants. Despite the relevance of HAp in medicine, exciting applications involving this material as a bio-compatible photocatalyst, depend on how well…
In this work we used $\textit{ab-initio}$ random structure searching (AIRSS) to carry out a systematic search for crystalline Na-Ge materials at both 0 and 10 GPa. The high-throughput structural relaxations were accelerated using a…
The bowing of the energy of the three lowest band-to-band transitions in $\beta$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ alloys was resolved using a combined density functional theory (DFT) and generalized spectroscopic ellipsometry (GSE) approach.…
We report high resolution x-ray diffraction measurements of (Ga,Mn)As and (Ga,Mn)(As,P) epilayers. We observe a structural anisotropy in the form of stacking faults which are present in the (111) and (11-1) planes and absent in the (-111)…
The modeling of finite-extent semiconductor nanostructures that are embedded in a host material requires the numerical treatment of the boundary in a finite simulation domain. For the study of a self-assembled InAs dot embedded in GaAs,…
The generalized eigenvalue problem (GEP) serves as a cornerstone in a wide range of applications in numerical linear algebra and scientific computing. However, traditional approaches that aim to maximize the classical Rayleigh quotient…
Finding novel atomically-thin heterostructures and understanding their characteristic properties are critical for developing better nanoscale optoelectronic devices. In this study, we investigate the electronic and optical properties of…
A symmetry-based interpretation of published experimental results demonstrates that the pseudo-gap phase of underdoped HgBa2CuO4(Hg1201) possesses an ordered state of magnetic charge epitomized by Cu magnetic monopoles. Magnetic properties…
We study the emergence of symmetric oscillatory behavior in multi-agent systems where each agent incorporates a continuous memory of its past states and past rates of change, modeled by distributed retarded and neutral delays. The…
DFT calculations of the electronic structure of graphane and stoichiometrically halogenated graphene derivatives (fluorographene and other analogous graphene halides) show (i) localized orbital basis sets can be successfully and effectively…
We present the studies of magnetic properties of 2 MeV 4He+-irradiated GaN grown by metal-organic chemical-vapor deposition. Particle irradiation allowed controllable introduction of Ga-vacancy in the samples. The magnetic moments with…