First-principles prediction of electronic structure and magnetic ordering of rare-earth metals doped ZnO

2014 ◽  
Vol 617 ◽  
pp. 828-833 ◽  
Author(s):  
X.J. Zhang ◽  
W.B. Mi ◽  
X.C. Wang ◽  
H.L. Bai
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
First Principles ◽  
Rare Earth Metals ◽  
Magnetic Ordering ◽  
Doped Zno

POSSIBLE EVIDENCE FOR A VALENCE BAND SATELLITE IN PHOTOEMISSION SPECTRA FROM Sc(0001)

1994 ◽  
Vol 01 (04) ◽  
pp. 649-653 ◽  
Author(s):  
A.J. PATCHETT ◽  
S.S. DHESI ◽  
R.I.R. BLYTH ◽  
S.D. BARRETT
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
Binding Energy ◽  
Single Crystals ◽  
Valence Band ◽  
Ground State ◽  
Rare Earth Metals ◽  
Final State ◽  
Bulk Single Crystals ◽  
The Creation

An intense photoemission feature is observed at a binding energy of ~10 eV in the UV photoemission spectra from the (0001) surfaces of bulk single crystals of rare-earth metals. This emission cannot be explained in terms of ground state electronic structure and we have been unable to attribute its existence to the presence of contamination of the surface. We present some evidence that may indicate its origin lies in the creation, by the photoemission process, of a metastable two-hole final state.

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

Study on Electronic Structure and Optical Properties of S-doped ZnO Using First-Principles

2014 ◽  
Vol 51 (7) ◽  
pp. 071604
Author(s):  
韩伟超 Han Weichao ◽  
张颂 Zhang Song ◽  
段光杰 Duan Guangjie ◽  
李明军 Li Mingjun ◽  
黄连帅 Huang Lianshuai ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Doped Zno

scholarly journals Electronic structure and magnetic ordering of NiN and Ni 2 N from first principles

2018 ◽  
Vol 1 (1) ◽  
pp. 015002 ◽  
Author(s):  
Abdesalem Houari ◽  
Samir F Matar ◽  
Volker Eyert
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Magnetic Ordering
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