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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
Citations
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NMR investigation of atomic and electronic structures of half-Heusler topologically nontrivial semimetals
Chenglong Shi,Xuekui Xi,Zhipeng Hou,Zhipeng Hou,Xiaoming Zhang,G. Xu,Enke Liu,Wenquan Wang,Wenhong Wang,Jinglan Chen,Guangheng Wu +10 more
TL;DR: In this article, the sign and magnitude of 209Bi isotropic shifts of YPtBi at various temperatures are systematically distinct from YPdBi, and these results support the band inversion model.
Journal ArticleDOI
Magnetocaloric properties and critical behavior of Co$_2$Cr$_{1-x}$Mn$_x$Al Heusler alloys
TL;DR: In this article, the magnetocaloric effect and critical behavior of Co$_2$Cr$_{1-x}$Mn$_x$Al ($x=$ 0.25, 0.5,0.75) Heusler alloys across the ferromagnetic (FM) transition (T$_{\rm C}$).
Journal ArticleDOI
Half-Metal Spin-Gapless Semiconductor Junctions as a Route to the Ideal Diode
TL;DR: In this article, the authors proposed a diode concept that does not have a junction barrier and the operation principle of which relies on the spin-dependent transport properties of the HMM and SGS materials.
Journal ArticleDOI
Investigation on the structural, elastic, electronic, and magnetic properties of half-metallic $$\hbox {Co}_{2}\hbox {MnSi}$$ Co 2 MnSi and CoMnIrSi via first-principles calculations
TL;DR: In this paper, the structural, elastic, electronic, and magnetic properties of the CoMnIrSi full-Heusler compounds were investigated by means of density functional theory based on the full-potential linearized augmented plane wave (FP-LAPW) approach.
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Site preference of Zr in Heusler alloys Zr2YAl (Y = Cr, Mn, Fe, Co, Ni) and its influence on the electronic properties
TL;DR: The site preference of 4d transition metal element Zr in Heusler alloys Zr2YAl (Y = Cr, Mn, Fe, Co, Ni) has been investigated theoretically.
References
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Journal ArticleDOI
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.
Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
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.
Journal ArticleDOI
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.
Journal ArticleDOI
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.
Journal ArticleDOI
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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