Spin-Orbit Coupling
Spin-Orbit Coupling in the Band Structure of Magnesium and other Hexagonal-Close-Packed Metals
Abstract: A calculation of the spin-orbit splitting of the energy levels at the corner of the Brillouin zone in Mg isperfo…
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Spin-Orbit Coupling
Spin-Orbit Coupling Effects in Zinc Blende Structures*
G.DRESSELHAUS Abstract: Character tables for the "group of the wave vector" at certain points of symmetry in the Brillouin zone are g…
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Spin-Orbit Coupling
Theory of the Effect of Spin-Orbit Coupling on Magnetic Resonance in Some Semiconductors*
R. J. Elliott Abstract: The effect of spin-orbit coupling on the usual band theory of electrons in a lattice is considered. Particular a…
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Spin-Orbit Coupling
Solving the Secular Equation Including Spin Orbit Coupling for Systems with Inversion and Time Reversal Symmetry
Abstract: A computational method for computing the eigenvalues and eigenvectors of a class of matrices that arise in quantum mechanics involvin…
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Spin-Orbit Coupling
Study of band structure and spin splitting energy in Gallium (GaX, X=P,As,Sb) compounds using GGA and mBJ-GGA method
Abstract: We studied the band structures of Gallium compounds (GaX, X=P,As,Sb) under III-V semiconductor compounds in this paper. Our calculatio…
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Spin-Orbit Coupling
First-Principles Study of Structural and Electronic Properties of UGa3
Abstract: In this paper, the structural and electronic properties of UGa have been investigated using the 3 generalized gradient approximation …
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Transition Metal Compounds
Effect of the Spin-Orbit Interaction on the Electronic Structure, Magnetic Moment and Spin Density Maps of Co2YSn (Y = Ti,V and Mn)
Abstract: We present a study on the effect of the spin–orbit interaction on the electronic structure, magnetic moment and spin density maps in t…
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Wien2k Code
Effect of the Spin-Orbit Interaction on the Electronic Structure, Magnetic Moment and Spin Density Maps of Co 2 YSn (Y = Ti,V and Mn)
Abstract: We present a study on the effect of the spin–orbit interaction on the electronic structure, magnetic moment and spin density maps in th…
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Spin-Orbit Coupling
Effect of spin orbit coupling and Hubbard U on the electronic structure of IrO2
Abstract We have studied in detail the electronic structure of IrO 2 including spin orbit coupling (SOC) and electron-electron interaction, both …
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Transition Metal Compounds
First-Principles Calculations of the Structure and Magnetic Phases of FeAs2 Compound under Pressure
O. Sebaa , Y. Zaoui, K. O. Obodo, H. Bendaoud, L. Beldi and B. Bouhafs *Modeling and Simulation in Materials Science Laboratory …
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Spin-Orbit Coupling
Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium
Showkat H. Mir , Prakash C. Jha , M. S. Islam , Amitava Banerjee , Wei Luo , Shweta D. Dabhi , Prafulla K. Jha & R. Ahuja A…
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Spin-Orbit Coupling
Electronic and magnetic structure of carbides RRh3C
Abstract : Ab initio calculations are performed to study the electronic and magnetic properties of the cubic inverse perovskite RRh3C (R ¼ rare …
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Spin-Orbit Coupling
Magnetic ordering in RPtBi topological insulators from DFT+U calculations
Abstract We report on the detailed electronic properties of half Heusler compounds RPtBi (R¼La, Gd, Lu). LDA+U predict an anti-ferromagnetic Gd…
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Spin-Orbit Coupling
Electronic structure of relativistic Mott insulator Li2RhO3
Abstract Motivated by studies of coexisting electron correlation and spin-orbit coupling effect in Na2IrO3 and a recent experiment of its 4d ana…
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Spin-Orbit Coupling
Monoclinic crystal structure of α-RuCl3 and the zigzag antiferromagnetic ground state
Abstract The layered honeycomb magnet α-RuCl3 has been proposed as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dep…
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Transition Metal Compounds
Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet
V.P. Antropov,1 V.N. Antonov,1, 2 L.V. Bekenov,2 A. Kutepov,1 and G. Kotliar3 1 Ames Laboratory USDOE, Ames, IA 50011 2 Institute of Metal Physi…
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Structural Properties
Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM = Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au)
Rashid Iqbal * , † Zahid Ali * , † , ¶ S. Jalali-Asadabadi ‡ Iftikhar Ahmad * , § * Center for Computational Materials Science, University…
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