scholarly journals Significant contribution of As4porbitals to the low-lying electronic structure of the 112-type iron-based superconductorCa0.9La0.1FeAs2

2015 ◽  
Vol 91 (4) ◽  
Author(s):  
M. Y. Li ◽  
Z. T. Liu ◽  
W. Zhou ◽  
H. F. Yang ◽  
D. W. Shen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Significant Contribution ◽  
Iron Based

scholarly journals Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12FeIII30 (M = MoVI, WVI)

2013 ◽  
Vol 42 (22) ◽  
pp. 7924 ◽  
Author(s):  
Karsten Kuepper ◽  
Christine Derks ◽  
Christian Taubitz ◽  
Manuel Prinz ◽  
Loïc Joly ◽  
...  
Keyword(s):  
Electronic Structure ◽  
X Ray ◽  
Iron Based

The role of spin-orbit coupling in the electronic structure of iron-based superconductors (Phys. Status Solidi B 1/2017)

2017 ◽  
Vol 254 (1) ◽  
Author(s):  
Sergey Borisenko ◽  
Daniil Evtushinsky ◽  
Zhonghao Liu ◽  
Igor Morozov ◽  
Rhea Kappenberger ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Iron Based Superconductors ◽  
Iron Based

ELECTRONIC STRUCTURE OF K0.8Fe2Se2 FROM DENSITY FUNCTIONAL THEORY GW METHOD SIMULATION

2013 ◽  
Vol 27 (15) ◽  
pp. 1362017
Author(s):  
LIUXI TAN ◽  
RUI GUO ◽  
SHIZHONG YANG ◽  
EBRAHIM KHOSRAVI ◽  
GUANG-LIN ZHAO ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Electric Dipole ◽  
First Principles ◽  
Density Functional ◽  
Lattice Distortion ◽  
The Novel ◽  
Functional Theory ◽  
Density Analysis ◽  
Iron Based

First principles density functional theory — based (GW) method — was used to simulate the electronic structure of the novel iron-based superconductor K 0.8 Fe 2 Se 2. The calculated band gap of K 0.8 Fe 2 Se 2 at the Γ point is 0.15 eV, which is significantly lower than the 0.61 eV of vacancy free crystal KFe 2 Se 2. The d-orbital of Fe atom is overlapped with the p-orbital of Se atom. Charge density analysis shows strong lattice distortion and vacancy related electric dipole and quadruple near the K vacancy. The reflectivity is anisotropic in three coordinate directions.

Chemistry and electronic structure of iron-based superconductors

MRS Bulletin ◽  
2011 ◽  
Vol 36 (8) ◽  
pp. 614-619 ◽  
Author(s):  
Athena S. Sefat ◽  
David J. Singh
Keyword(s):  
Electronic Structure ◽  
Iron Based Superconductors ◽  
Iron Based ◽  
Image Position

Abstract

The effect of hydrogen on the electronic structure and phase stability of iron-based alloys doped with chromium and nickel

1998 ◽  
Vol 10 (31) ◽  
pp. 6987-6994 ◽  
Author(s):  
A G Vakhney ◽  
A N Yaresko ◽  
V N Antonov ◽  
V V Nemoshkalenko ◽  
V G Gavriljuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Phase Stability ◽  
Iron Based
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