Hyperfine Field and Electronic Structure in Fe/Co and Fe/Ni Multilayer Systems

1995 ◽  
Vol 382 ◽  
Author(s):  
Manabu Takahashi ◽  
Xiao Hu ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Electronic Structure ◽  
Hyperfine Field ◽  
Electronic Structures ◽  
Nearest Neighbor ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
Spin Moment ◽  
Hyperfine Fields ◽  
Total Moment ◽  
Multilayer Systems

ABSTRACTWe investigate hyperfine field (Hhf) distributions and electronic structures in magnetic Fe5/Co5 and Fe5/Ni5 multilayer systems using the standard Green function KKR band structure calculation. For the Fe5/Ni5 system the Hhf at the interfacial Fe site is about 10kG smaller than that at the interior Fe site, however, system the Hhf are almost constant in Fe layer for the Fe5/Co5. At the interfacial Ni site the Hhf is almost twice as large as at the interior Ni site or in bulk fcc Ni. Valence contributions to the hyperfine fields (Hv) play important roles for the Hhf distributions. We discuss the relations between core contribution and local spin moment and between valence contribution and total moment within the 1st and 2nd nearest neighbor shells.

Electronic Structure and Optical Properties of Mgo Band Structure Calculation and Cluster Model

1989 ◽  
Vol 155 (1) ◽  
pp. 179-184 ◽  
Author(s):  
V. S. Stepanyuk ◽  
A. Szász ◽  
B. L. Grigorenko ◽  
O. V. Farberovich ◽  
A. A. Katsnelson
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Band Structure ◽  
Cluster Model ◽  
Structure Calculation ◽  
Band Structure Calculation

scholarly journals TIGHT-BINDING PARAMETERS FOR GRAPHENE

2011 ◽  
Vol 25 (03) ◽  
pp. 163-173 ◽  
Author(s):  
RUPALI KUNDU
Keyword(s):  
Band Structure ◽  
Density Of States ◽  
Nearest Neighbor ◽  
Tight Binding ◽  
Nearest Neighbors ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
First Principle ◽  
Binding Parameters ◽  
Band Dispersion

In this article, we have reproduced the tight-binding π band dispersion of graphene including up to third nearest-neighbors and also calculated the density of states of π band within the same model. The aim was to find out a set of parameters descending in order as distance towards third nearest-neighbor increases compared to that of first and second nearest-neighbors with respect to an atom at the origin. Here we have discussed two such sets of parameters by comparing the results with first principle band structure calculation.1

FIRST-PRINCIPLES STUDIES ON THE ELECTRONIC STRUCTURE OF BaCuSi2O6

2010 ◽  
Vol 24 (14) ◽  
pp. 2205-2210
Author(s):  
T. JEONG
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Density Functional ◽  
Local Density ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
Density Approximation ◽  
Structure And Properties ◽  
Functional Theory ◽  
The Density Functional Theory

The electronic properties of BaCuSi 2 O 6 are studied by band structure calculation based on the density functional theory within local density approximation. We find that the electronic structure and properties are dominated by the layered character of the crystal structure arising from the in plane Cu 3d and O 2p electron interactions.

Hyperfine fields and electronic structures in and multilayer systems

1995 ◽  
Vol 95 (3) ◽  
pp. 127-130 ◽  
Author(s):  
Manabu Takahashi ◽  
Xiao Hu ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Electronic Structures ◽  
Hyperfine Fields ◽  
Multilayer Systems

The Effects of Molecular Orientation on the Electronic Structure of the Solid Fullerites

1994 ◽  
Vol 349 ◽  
Author(s):  
Bing-Lin Gu ◽  
Yutaka Maruyama ◽  
Jing-Zhi Yu ◽  
Kaoru Ohno ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Electronic Structure ◽  
Molecular Orientation ◽  
Local Density ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
Full Potential ◽  
Density Approximation ◽  
Self Consistent ◽  
Homo And Lumo ◽  
Photoemission Data

ABSTRACTThe effects of C60 molecular orientation and rotation on the electronic structure of fcc C60 solid have been investigated by performing a band structure calculation with self-consistent mixed-basis all electron and full-potential approach within local density approximation. We present an angle-dependent density of states of HOMO and LUMO bands, which should be compared to the angle-resolved photoemission data.

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