Field-induced half-metallic phase in epitaxial TcO2 bilayer on rutile TiO2 surface

2021 ◽  
pp. 168478
Author(s):  
Xiang-Bo Xiao ◽  
Bang-Gui Liu
Keyword(s):  
Metallic Phase ◽  
Tio2 Surface ◽  
Half Metallic ◽  
Rutile Tio2

In situ loading of CuS nanoflowers on rutile TiO2 surface and their improved photocatalytic performance

2016 ◽  
Vol 370 ◽  
pp. 312-319 ◽  
Author(s):  
Y.Y. Lu ◽  
Y.Y. Zhang ◽  
J. Zhang ◽  
Y. Shi ◽  
Z. Li ◽  
...  
Keyword(s):  
Photocatalytic Performance ◽  
Tio2 Surface ◽  
Rutile Tio2

Evolution of zirconia coating layer on rutile TiO2 surface and the pigmentary property

2010 ◽  
Vol 71 (10) ◽  
pp. 1458-1466 ◽  
Author(s):  
Yunsheng Zhang ◽  
Hengbo Yin ◽  
Aili Wang ◽  
Chun Liu ◽  
Longbao Yu ◽  
...  
Keyword(s):  
Coating Layer ◽  
Tio2 Surface ◽  
Zirconia Coating ◽  
Rutile Tio2

Nature of the excited states of the rutile TiO2() surface with adsorbed water

2002 ◽  
Vol 498 (1-2) ◽  
pp. L103-L108 ◽  
Author(s):  
Vladimir Shapovalov ◽  
Eugene V. Stefanovich ◽  
Thanh N. Truong
Keyword(s):  
Excited States ◽  
Adsorbed Water ◽  
Tio2 Surface ◽  
Rutile Tio2

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.

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

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.

Sign in / Sign up

Export Citation Format

Share Document