Prediction of a Dynamically Stable New Half-Metallic Phase for the BaN and BaC Compounds

2018 ◽  
Vol 32 (7) ◽  
pp. 2031-2044 ◽  
Author(s):  
L. Beldi ◽  
H. Bendaoud ◽  
K. O. Obodo ◽  
B. Abbar ◽  
B. Bouhafs
Keyword(s):  
Metallic Phase ◽  
Half Metallic

Optical Properties of the Half-Metallic La3/4Ca1/4MnO3

1998 ◽  
Vol 12 (29n31) ◽  
pp. 3359-3364
Author(s):  
D. Bagayoko ◽  
G. L. Zhao ◽  
J. D. Fan ◽  
J. T. Wang
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Optical Conductivity ◽  
Local Density ◽  
Metallic Phase ◽  
Ferromagnetic Phase ◽  
Metallic State ◽  
Average Magnetic Moment ◽  
Half Metallic ◽  
Experimental Values

We studied the electronic structure and optical properties of the low temperature (T = 0 K for the calculation) ferromagnetic phase of La3/4Ca1/4MnO3 using a self-consistent ab-initio LCAO method. We employed a local density potential. The calculated electronic structure suggests that the material is in a half-metallic state. The calculated average magnetic moment for the half-metallic phase is 3.75 μ B per Mn. This value is very close to the experimental values of 3.7 μ B per Mn. The real part of the optical conductivity, σ1(ω), from the direct band transitions, is predicted. The calculated optical conductivity shows that for photon energies below 2.4 eV, the electronic states of minority spin do not contribute to the optical transitions.

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.

Dynamic studies of silicide-mediated crystallization of amorphous silicon

1992 ◽  
Vol 50 (2) ◽  
pp. 1352-1353
Author(s):  
C. Hayzelden ◽  
J. L. Batstone
Keyword(s):  
Ion Implantation ◽  
Solid Phase ◽  
Metallic Phase ◽  
Single Crystal Substrate ◽  
Free Electrons ◽  
Melt Temperature ◽  
Transmission Electron ◽  
Crystal Substrate ◽  
High Resolution Tem

Epitaxial reordering of amorphous Si(a-Si) on an underlying single-crystal substrate occurs well below the melt temperature by the process of solid phase epitaxial growth (SPEG). Growth of crystalline Si(c-Si) is known to be enhanced by the presence of small amounts of a metallic phase, presumably due to an interaction of the free electrons of the metal with the covalent Si bonds near the growing interface. Ion implantation of Ni was shown to lower the crystallization temperature of an a-Si thin film by approximately 200°C. Using in situ transmission electron microscopy (TEM), precipitates of NiSi2 formed within the a-Si film during annealing, were observed to migrate, leaving a trail of epitaxial c-Si. High resolution TEM revealed an epitaxial NiSi2/Si(l11) interface which was Type A. We discuss here the enhanced nucleation of c-Si and subsequent silicide-mediated SPEG of Ni-implanted a-Si.Thin films of a-Si, 950 Å thick, were deposited onto Si(100) wafers capped with 1000Å of a-SiO2. Ion implantation produced sharply peaked Ni concentrations of 4×l020 and 2×l021 ions cm−3, in the center of the films.

Metallic phase stabilization and phase diagram of (ET)3(HSO4)2

1991 ◽  
Vol 1 (10) ◽  
pp. 1365-1370 ◽  
Author(s):  
N. D. Kush ◽  
V. N. Laukhin ◽  
A. I. Schegolev ◽  
E. B. Yagubskii ◽  
E. Yu. Alikberova ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Metallic Phase ◽  
Phase Stabilization

DEGREE OF VALENCE MIXING IN THE METALLIC PHASE OF SmS AND IN TmSe

1976 ◽  
Vol 37 (C4) ◽  
pp. C4-267-C4-270 ◽  
Author(s):  
B. BATLOGG ◽  
A. SCHLEGEL ◽  
P. WACHTER
Keyword(s):  
Metallic Phase ◽  
Valence Mixing
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