Microscopic clustering in light nuclei Freer, Martin; Horiuchi, Hisashi; Kanada-En’yo, Yoshiko ...
Reviews of modern physics,
08/2018, Volume:
90, Issue:
3
Journal Article
Peer reviewed
Open access
This review examines the tendency of light nuclei to exhibit clustering, where correlations between nucleons result in the formation of precipitates, typically α particles. The observation of ...clustering dates to the earliest days of the subject, where α particles were the building blocks of some nuclear models. The description of a nucleus in terms of clusters was attractive in terms of simplifying the computationally challenging problem through the reduction of the degrees of freedom. However, more recently it has been possible to develop ab initio methods which seek to build nuclei not from the clusters, but from the individual nucleons with a full account of the Pauli exclusion principle. This review links the development of the subject from the assumption of preformed α particles, through to the development of models which demonstrate the appearance of clustering from the A -nucleon wave function with realistic but effective interactions, to finally first principle approaches using interactions based on chiral effective field theory and the symmetries of quantum chromodynamics. This places the understanding of clustering as a cornerstone of the development of nuclear theory as it attempts to develop a complete understanding of light nuclei from the fundamental strong force.
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Correction for 'Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study' by Atahar Parveen
et al.
,
Phys. Chem. Chem. Phys.
, ...2018,
20
, 5084-5102.
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These ...properties are described by transport coefficients such as electron and hole mobilities. Over the last decades, our understanding of carrier mobilities has largely been shaped by experimental investigations and empirical models. Recently, advances in electronic structure methods for real materials have made it possible to study these properties with predictive accuracy and without resorting to empirical parameters. These new developments are unlocking exciting new opportunities, from exploring carrier transport in quantum matter to in silico designing new semiconductors with tailored transport properties. In this article, we review the most recent developments in the area of ab initio calculations of carrier mobilities of semiconductors. Our aim is threefold: to make this rapidly-growing research area accessible to a broad community of condensed-matter theorists and materials scientists; to identify key challenges that need to be addressed in order to increase the predictive power of these methods; and to identify new opportunities for increasing the impact of these computational methods on the science and technology of advanced materials. The review is organized in three parts. In the first part, we offer a brief historical overview of approaches to the calculation of carrier mobilities, and we establish the conceptual framework underlying modern ab initio approaches. We summarize the Boltzmann theory of carrier transport and we discuss its scope of applicability, merits, and limitations in the broader context of many-body Green's function approaches. We discuss recent implementations of the Boltzmann formalism within the context of density functional theory and many-body perturbation theory calculations, placing an emphasis on the key computational challenges and suggested solutions. In the second part of the article, we review applications of these methods to materials of current interest, from three-dimensional semiconductors to layered and two-dimensional materials. In particular, we discuss in detail recent investigations of classic materials such as silicon, diamond, gallium arsenide, gallium nitride, gallium oxide, and lead halide perovskites as well as low-dimensional semiconductors such as graphene, silicene, phosphorene, molybdenum disulfide, and indium selenide. We also review recent efforts toward high-throughput calculations of carrier transport. In the last part, we identify important classes of materials for which an ab initio study of carrier mobilities is warranted. We discuss the extension of the methodology to study topological quantum matter and materials for spintronics and we comment on the possibility of incorporating Berry-phase effects and many-body correlations beyond the standard Boltzmann formalism.
Summary
Although the FeS2 is a promising electrocatalyst for hydrogen storage, the electronic and optical properties of the hydrogenated FeS2 are unclear. To solve these problems, we apply the ...first‐principles calculations to study the hydrogenated behavior, electronic and optical properties of H‐doped FeS2. The results show that the hydrogen is easy to store in cubic FeS2 compared to the orthorhombic FeS2. The reason is that the large interstice of cubic structure can enhance the interaction between H and FeS2. The narrow band gap of FeS2 improves the electronic transfer and enhances the catalytic activity. The hydrogenated FeS2 shows the strong electronic interaction between H and FeS2. The electronic structure shows that the hydrogenated FeS2 is attributed to the formation of H‐S and H‐Fe bonds. Finally, the adsorption spectrum affirms that the hydrogenated cubic FeS2 improves the electronic jump between the occupied state and the empty state.
The hydrogen prefers to store in cubic FeS2 compared to the orthorhombic FeS2.
The narrow band gap enhances the electronic transfer and catalytic activity of FeS2.
The hydrogenated cubic FeS2 improves the electronic transition between the occupied state and the empty state.
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Bertini et al discuss value-based sales. In their experience, value-based selling initiatives often start with the wrong premise. Senior executives assume that their company's differentiated ...offerings deserve a higher price. In turn, this sense of entitlement lulls them into thinking that the only challenge is to quantify and communicate every advantage. Faced with hard numbers, they reason, any customer in their right mind would happily pay a premium. Their framework, developed over years of helping companies achieve long-term returns from product development, grounds a five-part process for successful value-based sales in three key principles essential to such initiatives: commitment, understanding, and proof. Best-in-class value-based selling realizes that "showing customers the money" is not enough.
This study aims to derive the principles that can be used to assess moderation from a Shariah perspective and consequently to safeguard the notion of Islamic moderation from trends that deviate from ...Islamic principles under the guise of moderation. These days moderation is synonymous of complete submission to international laws even if they contradict Sharia. This undoubtedly contradicts the true concept of moderation, which as revealed in the study means adhering to the Islamic principles without extremism or negligence. The study concludes that the most important principles for achieving moderation at both the individual and collective levels of the Muslim community lies in adherence to Quran and Sunnah while avoiding extremism and negligence. Descriptive, analytical, and historical methods of research have been used in this research article.
What Is the Problem? * CBPR is not a method, but rather an approach for guiding and informing future research partnerships. * Although academics are trained in research methods, few receive formal ...training in community-engaged research approaches and they and their community partners will benefit from direction and assistance as they establish and maintain their research partnerships.
The purpose of the research is to highlight methodological approaches to understanding principles of law in the contextof modern globalization transformations. Main content. Their ontological, ...epistemological and axiological nature are revealed, in particular, links of the principles of law with human existence, science and other ways of world perception are being traced. Methodology: The methodological basis of the research is the dialectical method of scientific knowledge, through the application of this method considered were legal, functional, organizational and procedural aspects of methodological approaches to understanding of principles of law in the context of modern globalization transformations. Conclusions. The classification of the principles of law was singled out and a brief description of their types — universal principles, civilizational principles, and right-family principles and possibilities of separating principles of the national legal system was provided.
The relevance of the research topic is determined by theoretical and practical circumstances. The principles of law play a significant role in the legal regulation of social relations and are one of ...the most important components of the legal system of society. Despite numerous studies, a number of issues in this problematic field require serious research. In particular, it is necessary to improve the principle s of criminal procedure law in Russia. One way to solve this problem is a comparative classification of the principles of criminal procedure law. The purpose of the study is a comparative analysis of the classification of the principles of criminal procedure law of the Russian Federation and the Republic of Armenia. Research methods: classification, comparative analysis, formal legal analysis. Results: the article reveals the tendency for the predominance of the principles of criminal procedure law enshrined in the Constitutions of the Russian Federation and the Republic of Armenia. It is established that in the system of the principles of criminal procedure law in Russia there is only one specific sectoral principle, the equivalent of which is not found in Armenian criminal procedure law. All other Russian principles essentially coincide with the principles of the corresponding branch of Armenian law. At the same time, in the system of the principles of criminal procedure law of the Republic of Armenia there are seven principles, which are not enshrined in Russian legislation. It is proposed, based on the Armenian experience, to enshrine the principle of prohibiting misconduct in the Criminal Procedure Code of the Russian Federation.
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