Related Experiment Video
Updated: May 31, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
The computational materials design of (Ga, Cr)N: effects of co-doping on exchange interactions
Tatsuya Nakano1, Masafumi Shirai, Yoshio Miura
1Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.
Abstract:
We investigate the effect of O or Be co-doping on the exchange interaction between Cr spins in (Ga, Cr)N by means of first-principles calculations based on the density-functional theory. The ferromagnetic exchange interactions are reduced by doping Be around Cr. On the other hand, O doping reduces the ferromagnetic interaction remarkably only for the case of Cr-O-Cr complex formation. The enhancement of the ferromagnetic exchange interaction cannot be achieved by doping O or Be impurities. However, the O and Be impurities can help the clustering of Cr atoms due to the enhancement of the attractive interaction between Cr atoms.
More Related Videos
Related Concept Videos
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Recrystallization: Solid–Solution Equilibria
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.

