ChemInform Abstract: Electronic Structure of 3d [M(H2O)6]3+ Ions from ScIII to FeIII: A Quantum Mechanical Study Based on DFT Computations and Natural Bond Orbital Analyses.

ChemInform ◽  
2010 ◽  
Vol 32 (35) ◽  
pp. no-no
Author(s):  
Bernd Kallies ◽  
Roland Meier
Keyword(s):  
Electronic Structure ◽  
Natural Bond Orbital ◽  
Quantum Mechanical ◽  
Dft Computations ◽  
Mechanical Study ◽  
Quantum Mechanical Study

scholarly journals QUANTUM MECHANICAL STUDY OF THE MAGNETIZATION EFFECT ON THE ELECTRONIC STRUCTURE OF SI: P

2020 ◽  
Author(s):  
Anton Gnidenko ◽  
Andrey Chibisov ◽  
Maria Chibisova ◽  
Anastasiya Prohorenko
Keyword(s):  
Magnetic Field ◽  
Electronic Structure ◽  
Conduction Band ◽  
Phosphorus Atom ◽  
Energy Gap ◽  
Quantum Mechanical ◽  
Donor Level ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Silicon Doped

Non-collinear calculation of the electronic structure of silicon doped with phosphorus were performed. The dependence of the energy gap between the donor level and the bottom of the conduction band on the phosphorus atom magnetization is investigate, the possibility of manipulation of the phosphorus atom spin using a magnetic field is shown.

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