Ground-state electronic structure calculations of the multiple spin-density-wave state in γ-Fe

2002 ◽  
Vol 65 (13) ◽  
Author(s):  
Y. Kakehashi ◽  
O. Jepsen ◽  
N. Kimura
Keyword(s):  
Electronic Structure ◽  
Spin Density ◽  
Ground State ◽  
Density Wave ◽  
Spin Density Wave ◽  
Electronic Structure Calculations ◽  
Wave State ◽  
Structure Calculations

Electronic structure reconstruction of CaFe2As2 in the spin density wave state

2011 ◽  
Vol 72 (5) ◽  
pp. 469-473 ◽  
Author(s):  
Fei Chen ◽  
Yan Zhang ◽  
Jia Wei ◽  
Bo Zhou ◽  
Lexian Yang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Spin Density ◽  
Density Wave ◽  
Spin Density Wave ◽  
Wave State ◽  
Structure Reconstruction

Magnetic Ground State and Electronic Structure Calculations of PbMnO3 Using DFT

2014 ◽  
Vol 895 ◽  
pp. 420-423 ◽  
Author(s):  
Sathya Sheela Subramanian ◽  
Baskaran Natesan
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Fermi Level ◽  
Ground State ◽  
Density Functional ◽  
Electronic Structure Calculations ◽  
Magnetic Ground State ◽  
Electronic Band ◽  
Structure Calculations ◽  
Centrosymmetric Structure

Structural optimization, magnetic ground state and electronic structure calculations of tetragonal PbMnO3have been carried out using local density approximation (LDA) implementations of density functional theory (DFT). Structural optimizations were done on tetragonal P4mm (non-centrosymmetric) and P4/mmm (centrosymmetric) structures using experimental lattice parameters and our results indicate that P4mm is more stable than P4/mmm. In order to determine the stable magnetic ground state of PbMnO3, total energies for different magnetic configurations such as nonmagnetic (NM), ferromagnetic (FM) and antiferromagnetic (AFM) were computed for both P4mm and P4/mmm structures. The total energy results reveal that the FM non-centrosymmetric structure is found to be the most stable magnetic ground state. The electronic band structure, density of states (DOS) and the electron localization function (ELF) were calculated for the stable FM structure. ELF revealed the distorted non-centrosymmetric structure. The band structure and DOS for the majority spins of FM PbMnO3showed no band gap at the Fermi level. However, a gap opens up at the Fermi level in minority spin channel suggesting that it could be a half-metal and a potential spintronic candidate.

Microwave dielectric studies of the spin-density-wave state in (TMTSF)2PF6

1995 ◽  
Vol 51 (13) ◽  
pp. 8347-8356 ◽  
Author(s):  
J. L. Musfeldt ◽  
M. Poirier ◽  
P. Batail ◽  
C. Lenoir
Keyword(s):  
Spin Density ◽  
Density Wave ◽  
Spin Density Wave ◽  
Dielectric Studies ◽  
Wave State ◽  
Microwave Dielectric

Magnetic-field behavior of the spin-density-wave state in (TMTSF)2AsF6

1995 ◽  
Vol 52 (22) ◽  
pp. 15983-15991 ◽  
Author(s):  
J. L. Musfeldt ◽  
M. Poirier ◽  
P. Batail ◽  
C. Lenoir
Keyword(s):  
Magnetic Field ◽  
Spin Density ◽  
Density Wave ◽  
Spin Density Wave ◽  
Wave State ◽  
Field Behavior
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