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Balluff, Jan: Ab initio to application: antiferromagnetic Heusler compounds for spintronics. 2017
Inhalt
Contents
Introduction
Fundamentals
Exchange Bias
Magnetoresistance & Spintronics
Heusler Compounds
Theoretical Methods
Density Functional Theory (DFT)
Hohenberg-Kohn Theorems
Kohn-Sham Ansatz
Approximations
Magnetism in DFT
DFT of Solids: Periodic Boundary Conditions
DFT Implementations
Vienna Ab Initio Simulation Package (VASP)
Munich SPR-KKR Package
Calculation of Transition Temperatures
Exchange Coupling Parameters
Mean Field Approximation
Monte Carlo Simulations
Sample Preparation and Analysis
Thin Film Deposition
Composition Analysis
X-ray Fluorescence Spectroscopy
Energy Dispersive X-ray Spectroscopy
Rutherford Backscattering and ICP-OES
Structural Analysis
X-ray Diffraction
X-ray Reflectivity
Atomic Force Microscopy
Magnetic Analysis
Vibrating Sample Magnetometer
Magnetoresistance
X-ray Absorption Techniques
X-ray Magnetic Circular Dichroism
Lithography
Screening for Novel Antiferromagnetic Heusler Compounds
AFLOWLib
Phase Stability
Magnetic Ground State
Néel Temperature Estimation
Prediction of Antiferromagnetic Heusler Compounds
Structure and Composition
Magnetism
Selected Compounds and Literature
Limitations and Extensions
Antiferromagnetic Heusler Compound Ru2MnGe
Preparation
Exchange Bias in Ru2MnGe / Fe bilayers
Improving Effect Size
Interface Dusting
Doping
Integration of Ru2MnGe into Spintronic Devices
Perpendicular Ferrimagnet Mn3Ge
Investigation of Doping using DFT
Doped Mn(3-x)Z(x)Ge
Summary and Outlook
Antiferromagnetic Unit Cells
Convergence Tests
VASP
Monte Carlo
Antiferromagnetic Heusler Compounds: Detailed Results
List of Figures
List of Tables
Bibliography
Acknowledgements