Journal ArticleDOI
Simple rules for the understanding of Heusler compounds
Reads0
Chats0
TLDR
Heusler compounds as discussed by the authors are a remarkable class of intermetallic materials with 1:1:1 or 2:1-1 composition comprising more than 1500 members, and their properties can easily be predicted by the valence electron count.About:
This article is published in Progress in Solid State Chemistry.The article was published on 2011-05-01. It has received 1675 citations till now. The article focuses on the topics: Heusler compound.read more
Citations
More filters
Journal ArticleDOI
The high-throughput highway to computational materials design
Stefano Curtarolo,Gus L. W. Hart,Gus L. W. Hart,Marco Buongiorno Nardelli,Marco Buongiorno Nardelli,Marco Buongiorno Nardelli,Natalio Mingo,Stefano Sanvito,Stefano Sanvito,Ohad Levy +9 more
TL;DR: A current snapshot of high-throughput computational materials design is provided, and the challenges and opportunities that lie ahead are highlighted.
Journal ArticleDOI
Topological Materials: Weyl Semimetals
Binghai Yan,Claudia Felser +1 more
TL;DR: In this paper, the authors review the basic concepts and compare these topological states of matter from the materials perspective with a special focus on Weyl semimetals, and introduce the signatures of Weyl points in a pedagogical way, from Fermi arcs to the chiral magnetotransport properties.
Journal ArticleDOI
Pseudopotentials for high-throughput DFT calculations
TL;DR: In this article, the authors present design criteria and testing results for a new open-source "GBRV" ultrasoft pseudopotential library that has been optimized for use in high-throughput DFT calculations.
Journal ArticleDOI
Magnetocaloric effect: From materials research to refrigeration devices
TL;DR: The magnetocaloric effect and its most straightforward application, magnetic refrigeration, are topics of current interest due to the potential improvement of energy efficiency of cooling and temperature control systems, in combination with other environmental benefits associated to a technology that does not rely on the compression/expansion of harmful gases.
Journal ArticleDOI
Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials.
TL;DR: A high zT of ∼1.5 at 1,200 K is reported for the p-type FeNbSb heavy-band half-Heusler alloys with enhanced point-defect and electron–phonon scatterings and a significant reduction in the lattice thermal conductivity, highlighting the optimization strategy forheavy-band thermoelectric materials.
References
More filters
Journal ArticleDOI
Analysis of the small-angle neutron scattering of nanocrystalline ferromagnets using a micromagnetics model
TL;DR: In this article, a method for analyzing field-dependent SANS data from such materials in terms of a model based on the theory of micromagnetics was explored. But the results suggest that the anisotropy may be strongly nonuniform in each crystallite, possibly due to twinning, and that some magnetic moments in the Ni samples are strongly pinned at defects.
Journal ArticleDOI
Design of magnetic materials: Co$_2$Cr$_{1-x}$Fe$_{x}$Al
Gerhard H. Fecher,Hem C. Kandpal,Sabine Wurmehl,Jonder Morais,Hong-Ji Lin,Hans-Joachim Elmers,Gerd Schönhense,Claudia Felser +7 more
TL;DR: In this paper, the electronic structure of the ordered, doped Heusler compound Co$_2$Cr$1-x}$Fe${1,2,3,4}$ was calculated using different types of band structure calculations.
Journal ArticleDOI
Structure and properties of the transition-metal zintl compounds A14MnPn11 (A = Ca, Sr, Ba; Pn = As, Sb)
Journal ArticleDOI
Highly soluble multifunctional MnO nanoparticles for simultaneous optical and MRI imaging and cancer treatment using photodynamic therapy
Thomas D. Schladt,Kerstin Schneider,M. Ibrahim Shukoor,Filipe Natalio,Heiko Bauer,M. Nawaz Tahir,Stefan A. L. Weber,Laura M. Schreiber,Heinz C. Schröder,Werner E.G. Müller,Wolfgang Tremel +10 more
TL;DR: This method is an efficient platform that combines the advantages of a biocompatible photosensitizer with the possibility for MRI monitoring due to the magnetic properties of the highly soluble functionalized manganese oxide nanoparticles.
Journal ArticleDOI
Seebeck coefficients of half-metallic ferromagnets
Benjamin Balke,Siham Ouardi,Tanja Graf,Joachim Barth,Christian G. F. Blum,Gerhard H. Fecher,Andrey Shkabko,Anke Weidenkaff,Claudia Felser +8 more
TL;DR: In this article, the Co2-based Heusler compounds were discussed as potential materials for spin voltage generation and band structure calculations were performed which revealed the compounds to be half-metallic ferromagnets.
Related Papers (5)
Generalized Gradient Approximation Made Simple
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more