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Simple rules for the understanding of Heusler compounds
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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
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Gilbert damping, electronic and magnetic properties for quaternary Heusler alloys CrYCoZ: First-principles and Monte Carlo studies
TL;DR: In this article , the stability, Gilbert damping parameters, electronic structure, exchange interaction and Curie temperature of CrYCoZ (Z = Al, Ga, In, Tl) alloys are systematically studied from the perspective of thermodynamics, dynamics and mechanics.
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Signature of a highly spin polarized resonance state at Co2MnSi (0 0 1)/Ag (0 0 1) interfaces
Christian Lidig,Jan Minár,Jürgen Braun,Hubert Ebert,Andrei Gloskovskii,Alexander Kronenberg,Mathias Kläui,Martin Jourdan +7 more
TL;DR: In this paper, the authors investigated interfaces of halfmetallic Co 2 MnSi (1 0 0) Heusler thin films with Ag, Cr, Cu and Al layers.
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Ab initio study of the composite phase diagram of Ni–Mn–Ga shape memory alloys
Yu. A. Sokolovskaya,Vladimir V. Sokolovskiy,Vladimir V. Sokolovskiy,Mikhail A. Zagrebin,Mikhail A. Zagrebin,Vasiliy D. Buchelnikov,Alexey T. Zayak +6 more
TL;DR: In this article, the magnetic and structural properties of a series of nonstoichiometric Ni-Mn-Ga Heusler alloys are theoretically investigated in terms of the density functional theory.
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Highly effective Ru-based Heusler alloy catalysts for N2 activation: A theoretical study
TL;DR: In this paper, the catalytic ability of Ru-based Heusler alloys towards N2 decomposition was investigated, and a linear relationship between charges of all components, d-band-center, and N2 adsorption energy was predicted.
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XMCD and PES study of a compensated-ferrimagnetic half-metal Mn3Ga
TL;DR: In this paper, the electronic structure of the candidate zero-moment half-metallic Mn3Ga was investigated by employing soft X-ray magnetic circular dichroism (XMCD), XAS, and photoemission spectroscopy (PES).
References
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Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Self-Consistent Equations Including Exchange and Correlation Effects
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TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.
John P. Perdew,J. A. Chevary,S. H. Vosko,Koblar A. Jackson,Mark R. Pederson,David J. Singh,Carlos Fiolhais +6 more
TL;DR: A way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects as well as significant interconfigurational and interterm errors remain.
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Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
TL;DR: For the molecules Be2, F2, and P2 of Table I, the unrestricted Hartree-Fock solution breaks the singlet spin symmetry, even though the density functional solutions do not.
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Giant magnetoresistance of (001)Fe/(001)Cr magnetic superlattices.
Mario Norberto Baibich,J. M. Broto,Albert Fert,F. Nguyen Van Dau,Frédéric Petroff,P. Etienne,G. Creuzet,A. Friederich,Jean Chazelas +8 more
TL;DR: This work ascribes this giant magnetoresistance of (001)Fe/(001)Cr superlattices prepared by molecularbeam epitaxy to spin-dependent transmission of the conduction electrons between Fe layers through Cr layers.
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