Electronic structures of III–V based ferromagnetic semiconductors: half-metallic phase

2000 ◽  
Vol 281-282 ◽  
pp. 703-704 ◽  
Author(s):  
J.H Park ◽  
S.K Kwon ◽  
B.I Min
Keyword(s):  
Electronic Structures ◽  
Metallic Phase ◽  
Ferromagnetic Semiconductors ◽  
Half Metallic

Electronic Structure and Half-Metallic Properties of Cubic Perovskite BaRu1-XTixO3 System

2012 ◽  
Vol 519 ◽  
pp. 174-178
Author(s):  
Tong Wei Li ◽  
La Chen ◽  
Yang Wang ◽  
Jin Cang Zhang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structures ◽  
Density Functional ◽  
Energy Gap ◽  
Metallic Phase ◽  
Wave Method ◽  
Functional Theory ◽  
Half Metallic ◽  
Plane Wave Method ◽  
Spin Polarized

The electronic structures of the titanium-doped cubic perovskite ruthenates BaRu1-xTixO3 with x=0.125, 0.25, 0.375, 0.5, 0.625, 0.75, and 0.875 are investigated using the spin-polarized density functional theory within the pseudopotential plane wave method. It is found that a half-metallic phase appears in the 0.75- and 0.875-doped systems, and the origin of half-metallic property is the decrease of t2g bandwidth of Ru 4d states with the increase in x. In addition, the energy gap of BaRu0.25Ti0.75O3 is as large as 1.7 eV at the Fermi level in the up-spin density of states, which suggests a stable half-metallic phase can be obtained in the present systems.

scholarly journals Spin Gapless Semiconductor–Nonmagnetic Semiconductor Transitions in Fe-Doped Ti2CoSi: First-Principle Calculations

2018 ◽  
Vol 8 (11) ◽  
pp. 2200 ◽  
Author(s):  
Yu Feng ◽  
Zhou Cui ◽  
Ming-sheng Wei ◽  
Bo Wu ◽  
Sikander Azam
Keyword(s):  
Magnetic Moment ◽  
Electronic Structures ◽  
Magnetic Moments ◽  
Total Magnetic Moment ◽  
First Principle ◽  
Half Metallic ◽  
Heusler Compound ◽  
First Principle Calculations ◽  
Metallic Ferromagnet

Employing first-principle calculations, we investigated the influence of the impurity, Fe atom, on magnetism and electronic structures of Heusler compound Ti2CoSi, which is a spin gapless semiconductor (SGS). When the impurity, Fe atom, intervened, Ti2CoSi lost its SGS property. As TiA atoms (which locate at (0, 0, 0) site) are completely occupied by Fe, the compound converts to half-metallic ferromagnet (HMF) TiFeCoSi. During this SGS→HMF transition, the total magnetic moment linearly decreases as Fe concentration increases, following the Slate–Pauling rule well. When all Co atoms are substituted by Fe, the compound converts to nonmagnetic semiconductor Fe2TiSi. During this HMF→nonmagnetic semiconductor transition, when Fe concentration y ranges from y = 0.125 to y = 0.625, the magnetic moment of Fe atom is positive and linearly decreases, while those of impurity Fe and TiB (which locate at (0.25, 0.25, 0.25) site) are negative and linearly increase. When the impurity Fe concentration reaches up to y = 1, the magnetic moments of Ti, Fe, and Si return to zero, and the compound is a nonmagnetic semiconductor.

scholarly journals Half-metallic electronic structures of giant magnetoresistive spinels:Fe1−xCuxCr2S4(x=0.0,0.5,1.0)

1999 ◽  
Vol 59 (15) ◽  
pp. 10018-10024 ◽  
Author(s):  
Min Sik Park ◽  
S. K. Kwon ◽  
S. J. Youn ◽  
B. I. Min
Keyword(s):  
Electronic Structures ◽  
Half Metallic

Half-Metallic Electronic Structures of Thiospinels

2002 ◽  
Vol 71 (Suppl) ◽  
pp. 178-180 ◽  
Author(s):  
Min Sik Park ◽  
S. K. Kwon ◽  
B. I. Min
Keyword(s):  
Electronic Structures ◽  
Half Metallic

Properties of Bimetallic Core-Shell Nanoclusters

2012 ◽  
Author(s):  
Y. H. Park ◽  
I. Hijazi
Keyword(s):  
Electronic Structures ◽  
Degrees Of Freedom ◽  
Shell Structures ◽  
Core Shell ◽  
Half Metallic ◽  
Bimetallic Nanoclusters ◽  
Half Metal ◽  
Energetic Stability ◽  
Composition Modification ◽  
Device Applications

Gold (Au) and copper (Cu) materials and their combination exhibit the most of the main wanted properties in nanostructures. Nobel metals such as Au and Cu have important magnetic, electronic, optical, catalytic and thermal properties. Compared to monometallic clusters, bimetallic nanoclusters have more degrees of freedom and distinct properties due to the presence of two different metals. It is also well known that the shape, surface topography, segregation, mixing, ordering, energetic stability, and electronic structures of bimetallic nanoclusters may depend significantly on their composition. This affords greater opportunity to control their properties by modifying composition as well as size. In this work, we investigated magnetic and electronic properties for AuCu bimetallic core-shell structures and showed that the CuAu coreshell can have a half-metal property through chemical composition modification. Half-metallic ferromagnets attract increasing research interest as potential materials for spintronic device applications.

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