Molecular dynamics study on single particle displacement damage of ZB InN

To evaluate single-particle initial displacement damage of InN, the MD method is used to simulate the cascades, where the energy of PKA (E PKA) ranges from 1 to 5 keV. From these results, we can find that high EPKA will increase Np and Ns of defects, and aggravate the damage of InN, which is more obvious in Frenkel pairs. The formation efficiency of vacancy and interstitial is influenced by antisite defects, thereby causing the difference between vacancies and interstitials for the same atomic type. About the distribution of InN defects, it is mainly caused by vacancy defects, indicating that vacancy damage occupies the main position in displacement damage.

On Bergman-type spaces in tubular domains over symmetric cones

Some properties of new Bergman-type integral operators on product of the tube domains are obtained. An integral condition in tube to get atomic-type decomposition in multifunctional analytic Bergman spaces in tube domains over symmetric cones are provided.

Application of Theory of Quantum Instruments to Psychology: Combination of Question Order Effect with Response Replicability Effect

Recently, quantum formalism started to be actively used outside of quantum physics: in psychology, decision-making, economics, finances, and social science. Human psychological behavior is characterized by a few basic effects; one of them is the question order effect (QOE). This effect was successfully modeled (Busemeyer–Wang) by representing questions A and B by Hermitian observables and mental-state transformations (back action of answering) by orthogonal projectors. However, then it was demonstrated that such representation cannot be combined with another psychological effect, known as the response replicability effect (RRE). Later, this no-go result was generalized to representation of questions and state transformations by quantum instruments of the atomic type. In light of these results, the possibility of using quantum formalism in psychology was questioned. In this paper, we show that, nevertheless, the combination of the QOE and RRE can be modeled within quantum formalism, in the framework of theory of non-atomic quantum instruments.

CHARGE TRANSFER AND DIELECTRIC PROPERTIES OF TiO2–GRAPHENE COMPOSITES

The electronic structures and dielectric properties of TiO2 –graphene composites are studied using pseudo-potential density functional theory. It is shown that interfacial charge transfer properties of graphene/ TiO2 are influenced by the atomic type on TiO2 surface. The interfacial interaction of graphene with Ti -terminated surface is so strong that it causes a buckling structural graphene, and the titanium atomic d electrons are transferred obviously from TiO2 to graphene. It is revealed that dielectric properties of the composites are greatly affected by both band structures and electronic transitions. Compared with bulk TiO2 , dielectric constants of TiO2 –graphene composites are significantly improved.

First-principles Calculations of Energetic Properties of Vacancies, Mn-atomic Defects in CdTe

ABSTRACTAn atomistic modelling based on density functional theory within the framework of the local density approximation is used to show the trends in the energetic properties of single and double defects in CdTe semiconductor, without phase transformation. A systematic study of vacancies, Mn substituting Cd atoms in a supercell structure consisting of 16-atoms is presented. The changes of structural properties and lattice parameters due to the addition of Mn-atomic type defects in CdTe matrix are compared, and the number of vacancies is also determined from the total energy calculations.