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
Intrinsic point defects in halide double perovskite Cs2NaBiCl6 insight from first-principles
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DOI: 10.1016/j.tsf.2021.138781
Abstract: Abstract Various lead-free perovskite materials have recently been studied as optoelectronic materials. As one of the most promising double halide perovskite materials, Cs2NaBiCl6 has been widely studied, however, the stability and native defects have been… read more here.
Keywords: intrinsic point; first principles; native defects; defects halide ... See more keywords
Energetics of native defects in ZnRh2O4 spinel from hybrid density functional calculations
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DOI: 10.1063/1.5086799
Abstract: Most transparent conducting oxides (TCOs) exhibit n-type conductivity and are difficult to dope into p-type. Therefore, the development of efficient p-type TCOs is challenging. ZnRh2O4 spinel has been recognized as a potential p-type TCOs. However,… read more here.
Keywords: density functional; znrh2o4 spinel; functional calculations; native defects ... See more keywords
Native defects in the Co(2)TiZ (Z = Si, Ge, Sn) full Heusler alloys: Formation and influence on the thermoelectric properties
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DOI: 10.1103/physrevb.96.054443
Abstract: We have performed first-principles investigations on the native defects in the half-metallic, ferromagnetic full Heusler alloys Co(2)TiZ (Z one of the group IV elements Si, Ge, Sn), determining their formation energies and how they influence… read more here.
Keywords: heusler alloys; seebeck coefficient; native defects; defects tiz ... See more keywords
First-principles identification of charge-transition levels of native defects in BaF2
Sign Up to like & getrecommendations! Published in 2017 at "Modern Physics Letters B"
DOI: 10.1142/s0217984917500683
Abstract: This paper reports on semilocal and hybrid density functional analysis of charge-transition levels of native defects in BaF2 structure. The transition level is defined as the Fermi level where two defect charge states have the… read more here.
Keywords: levels native; transition; charge; transition levels ... See more keywords