Half-Metallic Behavior in 2D Transition Metal Dichalcogenides Nanosheets by Dual-Native-Defects Engineering.
Sign Up to like & getrecommendations! Published in 2017 at "Advanced materials"
DOI: 10.1002/adma.201703123
Abstract: Two-dimensional transition metal dichalcogenides (TMDs) have been regarded as one of the best nonartificial low-dimensional building blocks for developing spintronic nanodevices. However, the lack of spin polarization in the vicinity of the Fermi surface and… read more here.
Keywords: half metallic; dual native; transition metal; metal ... See more keywords
LDA + U Study of Induced Half Metallicity in Cr-Doped GaN
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DOI: 10.1007/s10948-016-3938-8
Abstract: Half-metallic ferromagnetism in the Ga1 − xCrxN compound at different concentrations, x = 25, 12.5 and 6.25 %, have been investigated using density functional theory as implemented in code Spanish Initiative for Electronic Simulations with… read more here.
Keywords: half metallic; study induced; half metallicity; lda study ... See more keywords
d0 Half-Metallic Ferromagnetism in CaN and CaAs Pnictides: an Ab Initio Study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4148-8
Abstract: Conventional magnetism occurs in systems which contain transition metals or rare earth ions with partially filled d or f shells. It is theoretically predicted that compounds of groups IA and IIA with IV and V,… read more here.
Keywords: half metallic; magnetism; half; metallic ferromagnetism ... See more keywords
New Quaternary Half-Metallic Materials of the Zt − 28 Rule in LiMgPdSn-Type Heusler Alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4280-5
Abstract: This paper presents first-principles calculations with the full-potential linearized augmented plane-wave method to study a series of LiMgPdSn-type Heusler alloys. The chemical formula is XX′YZ, where X = Fe, Co, or Ni; X′ = Mn;… read more here.
Keywords: half metallic; type heusler; heusler alloys; half ... See more keywords
Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4460-3
Abstract: Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange correlation… read more here.
Keywords: half metallic; cofecrz heusler; heusler alloys; structure ... See more keywords
First-Principles Investigation of Half-Metallic Ferromagnetism of a New 1:1:1:1 Type Quaternary Heusler Compound YRhTiSi
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4860-z
Abstract: First-principles theory was applied to study the electronic, magnetic, and half-metallic behaviors of a new Y-based equiatomic quaternary Heusler compound YRhTiSi. We will come to study the physical properties of this compound and find it… read more here.
Keywords: half metallic; compound yrhtisi; quaternary heusler; first principles ... See more keywords
Prediction of a Dynamically Stable New Half-Metallic Phase for the BaN and BaC Compounds
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4913-3
Abstract: The structural, magnetic, elastic, mechanical, and thermodynamic properties of BaC and BaN compounds in different phases were studied using first-principle calculations based on spin-polarized density functional theory within the generalized gradient approximation (GGA-PBEsol) and the… read more here.
Keywords: phase; ban bac; bac compounds; half metallic ... See more keywords
Half-Metallic Ferromagnetism Character in Cr-Doped CaS Diluted Magnetic Insulator and Semiconductor: an Ab Initio Study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4940-0
Abstract: The overall aim of this study is to investigate theoretically the structural, electronic, and magnetic properties of calcium sulfide (CaS) doped with chromium (Cr) impurity, in order to conduct a new search dilute magnetic semiconductors… read more here.
Keywords: half metallic; ferromagnetism character; cas; study ... See more keywords
Half-metallic, Magnetic, and Optical Properties for the (001) Surface of Binary Heusler Alloy MgCl3
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DOI: 10.1007/s11664-019-06946-9
Abstract: The half-metallic (HM), magnetic, and optical properties for the (001) surface of binary Heusler alloy MgCl3 were investigated by the first-principles method. The Mg*Mg*-term and Mg*Mg-term had the lower surface energies among the ClCl-term, Mg*Mg*-term,… read more here.
Keywords: half metallic; magnetic optical; 001 surface; term ... See more keywords
Computational study of structural, electronic, half-metallic and thermodynamic properties of Sr3X2O7 (X = Fe, Mn) compounds
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DOI: 10.1007/s12648-020-01890-5
Abstract: The structural, electronic, half-metallic and magnetic properties of Sr3Mn2O7, Sr3Mn2O7 and Sr3FeMnO7 have been investigated using the full-potential linearized augmented plane wave method. Besides, the thermodynamic properties of the materials of interest have been studied… read more here.
Keywords: thermodynamic properties; half metallic; structural electronic; computational study ... See more keywords
Novel half-metallic and bipolar materials formed by decoration of g-SiC2 with selected 3d transition metals
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DOI: 10.1016/j.apsusc.2019.03.146
Abstract: Abstract The main purpose of the present article is an investigation of electronic and magnetic properties of g-SiC2, decorated by 3d transition metals (TM), for two different concentrations of V, Mn, Co or Ni atoms.… read more here.
Keywords: novel half; half metallic; transition metals; spin ... See more keywords