Search results: Found 2

Listing 1 - 2 of 2
Sort by
Recent Advances in Novel Materials for Future Spintronics

Authors: --- ---
ISBN: 9783038979760 9783038979777 Year: Pages: 152 DOI: 10.3390/books978-3-03897-977-7 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Chemistry (General)
Added to DOAB on : 2019-06-26 08:44:06
License:

Loading...
Export citation

Choose an application

Abstract

As we all know, electrons carry both charge and spin. The processing of information in conventional electronic devices is based only on the charge of electrons. Spin electronics, or spintronics, uses the spin of electrons, as well as their charge, to process information. Metals, semiconductors, and insulators are the basic materials that constitute the components of electronic devices, and these types of materials have been transforming all aspects of society for over a century. In contrast, magnetic metals, half-metals (including zero-gap half-metals), magnetic semiconductors (including spin-gapless semiconductors), dilute magnetic semiconductors, and magnetic insulators are the materials that will form the basis for spintronic devices. This book aims to collect a range of papers on novel materials that have intriguing physical properties and numerous potential practical applications in spintronics.

First-Principles Prediction of Structures and Properties in Crystals

Authors: ---
ISBN: 9783039216703 9783039216710 Year: Pages: 128 DOI: 10.3390/books978-3-03921-671-0 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Chemistry (General)
Added to DOAB on : 2019-12-09 16:10:12
License:

Loading...
Export citation

Choose an application

Abstract

The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.

Listing 1 - 2 of 2
Sort by
Narrow your search

Publisher

MDPI - Multidisciplinary Digital Publishing Institute (2)


License

CC by-nc-nd (2)


Language

english (2)


Year
From To Submit

2019 (2)