LDA + U Study of Induced Half Metallicity in Cr-Doped GaN
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Superconductivity and Novel Magnetism"
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
Study of Electronic Structure, Magnetism, and Half-Metallicity of New Heusler Compounds CsTmO2 (Tm = Fe, Co, Ni, and Cu)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4620-0
Abstract: The density functional calculations were performed using the full-potential linearized augmented plane wave (FPLAPW) method for new Heusler alloys CsTmO2 (Tm = Fe, Co, Ni, and Cu). All compounds were stable in FM AlCu2Mn-type structure.… read more here.
Keywords: magnetism half; half metallicity; heusler; new heusler ... See more keywords
Establishment of half-metallicity, ferrimagnetic ordering and double exchange interactions in Ni-doped BiFeO3 – A first-principles study
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2016.12.034
Abstract: Abstract We report the results of our first principles calculations on the effect of nickel doping on the structural, magnetic and electronic properties of BiFeO3. It is revealed from our calculations that doping of Ni… read more here.
Keywords: exchange interactions; half metallicity; exchange; doped bifeo3 ... See more keywords
d0-d half-Heusler alloys: A potential class of advanced spintronic materials
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.09.052
Abstract: Abstract The possibility of ferromagnetic half-metallicity in lithium-based half-Heusler alloys, such as MnPLi, has been theoretically explored before [Damewood et al., Phys. Rev. B 91, 064409 (2015)], although at optimized lattice constants such lithiated manganese pnictides… read more here.
Keywords: alloys potential; heusler alloys; half metallicity; half ... See more keywords
The half-metallicity of (1 1 1) surface and (1 1 1) interface for Heusler alloy Co2MnGe thin film
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2017.04.067
Abstract: Abstract To investigate the electronic and magnetic properties of Co2MnGe thin film, we simulate four (1 1 1) surfaces of Co2MnGe and its eight (1 1 1) interfaces with GaAs by means of the first principles calculations. According to… read more here.
Keywords: co2mnge thin; half metallicity; thin film;
Half-metallicity and magnetism of Heusler alloys Co2HfZ (Z = Al, Ga, Ge, Sn)
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2017.04.099
Abstract: Abstract The electronic and magnetic properties of novel Heusler alloys Co 2 HfZ (Z = Al, Ga, Ge, Sn) with Hg 2 CuTi- and Cu 2 MnAl-type structures are investigated by first-principles calculations. It is found that… read more here.
Keywords: type; heusler alloys; half metallicity; mnal type ... See more keywords
Preserving the half-metallicity at the full Heusler alloy Sc2CrSi surfaces as well as Sc2CrSi/HgTe (1 1 1) interface
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2021.168371
Abstract: Abstract Using the first principle study within the density functional theory, the electronic and magnetic properties of the bulk on (1 1 1), (1 1 0) and (0 0 1) surfaces of the full-Heusler alloy and the Sc2CrSi/HgTe (1 1 1) interfaces were… read more here.
Keywords: full heusler; heusler alloy; alloy sc2crsi; alloy ... See more keywords
Enhancing the half-metallicity of equiatomic quaternary Heusler compound CoFeCrGe via atomic doping
Sign Up to like & getrecommendations! Published in 2019 at "Results in physics"
DOI: 10.1016/j.rinp.2019.102533
Abstract: Abstract Recently, the equiatomic quaternary Heusler alloy CoFeCrGe has been demonstrated to be half-metallic ferromagnet and possesses high Curie temperature of 866 K (Enamullah et al., 2015). However, its Fermi level locates at the edge of… read more here.
Keywords: metallicity; atomic doping; quaternary heusler; half metallicity ... See more keywords
Half-Metallicity in Co-Doped WSe2 Nanoribbons.
Sign Up to like & getrecommendations! Published in 2017 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.7b12196
Abstract: The recent development of two-dimensional transition-metal dichalcogenides in electronics and optoelelectronics has triggered the exploration in spintronics, with high demand in search for half-metallicity in these systems. Here, through density functional theory (DFT) calculations, we… read more here.
Keywords: wse2 nanoribbons; doped wse2; half metallicity; metallicity doped ... See more keywords
Half metallicity in Cr substituted Fe2TiSn
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-020-79895-7
Abstract: Band structure tailoring has been a great avenue to achieve the half-metallic electronic ground state in materials. Applying this approach to the full Heusler alloy Fe 2 TiSn, Cr is introduced systematically at Ti site… read more here.
Keywords: half metallicity; ground state; structure;
Robust half-metallicity in transition metal tribromide nanowires.
Sign Up to like & getrecommendations! Published in 2018 at "Nanoscale"
DOI: 10.1039/c8nr03322f
Abstract: One-dimensional (1D) nanowires (NWs) with robust half-metallicity are a rising star in spintronics. Herein, we theoretically investigate the magnetic and electronic properties of 3d transition-metal tribromide NWs, i.e. TMBr3 (TM = Sc, Ti, V, Cr,… read more here.
Keywords: transition metal; half metallicity; metal tribromide; robust half ... See more keywords