Continuous Tuning of the Fermi Level in Disorder-Engineered Amorphous Films of Li-Doped ZnO for Thermoelectric Applications

2021 ◽  
Author(s):  
Hyunwoo Bark ◽  
Soohyun Kim ◽  
Wonmok Lee ◽  
Pooi See Lee ◽  
Hyunjung Lee
Keyword(s):  
Fermi Level ◽  
Amorphous Films ◽  
Continuous Tuning ◽  
Doped Zno

First-Principles Study on the Conductive Properties of P-Doped ZnO

2009 ◽  
Vol 79-82 ◽  
pp. 1253-1256 ◽  
Author(s):  
Li Guan ◽  
Qiang Li ◽  
Xu Li ◽  
Jian Xin Guo ◽  
Bo Geng ◽  
...  
Keyword(s):  
Fermi Level ◽  
Valence Band ◽  
Density Functional ◽  
Lattice Structure ◽  
Mulliken Charge ◽  
Total Density ◽  
Type Conductivity ◽  
Doped Zno ◽  
P Type ◽  
Conductive Properties

In the present paper, the lattice structure, band structure and density of state of pure and P-doped ZnO are calculated by first-principle method based on density functional theory. By analyzing the Mulliken charge overlap population and bond length, it is found that the bond of P-Zn is longer and stronger than O-Zn bond for PO-ZnO. But for PZn-ZnO, the O-P bond becomes shorter and more powerful than O-Zn bond. Also, weak O-O bonds are formed in this case. Our results show that the final total energy of PO-ZnO is lower than PZn-ZnO. The lattice structure of PO-ZnO is more stability than PZn-ZnO. For PO-ZnO, The Fermi level moves into the valence band, which expresses that the holes appear on the top of valence band and thus the PO-ZnO exhibits p-type conductivity. For PZn-ZnO, the Fermi level moves up to the conductor band and the total density of states shifts to the lower energy region, thus PZn-ZnO shows the n-type conductivity.

Ab Initio Investigation of the Influence of Single Intrinsic Defect on the Structure, Bulk Moduli and Electronic Properties of V-Doped ZnO

2011 ◽  
Vol 393-395 ◽  
pp. 15-19
Author(s):  
Qing Bo Wang ◽  
Cui Zhou
Keyword(s):  
Triplet State ◽  
Fermi Level ◽  
Electronic Properties ◽  
Intrinsic Defect ◽  
Oxygen Defect ◽  
Electronic Density ◽  
Density State ◽  
Vanadium Doping ◽  
Vanadium Substitution ◽  
Doped Zno

We researched the effect of single intrinsic defect of the structure and electronic properties of V-doped ZnO. After vanadium (V) atom replaced one zinc atom, lattice constants and bulk modulus increased slightly 1.2% and as high as 8.9%, respectively. The total energy showed that oxygen defect inclined to stay at a position far from V atom but zinc defect likely to localize at a position near V atom. The electronic density state of pure ZnO was semiconductor behavior. Vanadium doping introduced a spin-polarization around Fermi-level. The 3d orbital of V split into triplet-state ta (antibonding state), dual-state e (nonbonding state) and triplet-state tb (bonding state) in the wurtzite ZnO crystal field. The ta state hybridized with O2p state above Fermi-level, which made Zn15VO16 underwent a semiconductor-halfmetal transition. Vanadium substitution moved the electronic density states to lower energy. Oxygen defect had little effects on V-doped ZnO while zinc defect moved the density of states to higher energy. Our paper provided a reference for the preparation and application of V-doped ZnO.

Fermi-level band filling and band-gap renormalization in Ga-doped ZnO

2005 ◽  
Vol 86 (19) ◽  
pp. 192111 ◽  
Author(s):  
J. D. Ye ◽  
S. L. Gu ◽  
S. M. Zhu ◽  
S. M. Liu ◽  
Y. D. Zheng ◽  
...  
Keyword(s):  
Fermi Level ◽  
Band Gap ◽  
Band Filling ◽  
Doped Zno

Hopping Transport in Tetrahedrally Bonded Amorphous Films Via States Near the Fermi Level

1985 ◽  
pp. 325-343 ◽  
Author(s):  
P. N. Butcher ◽  
R. P. Ferrier ◽  
A. R. Long ◽  
S. Summerfield
Keyword(s):  
Fermi Level ◽  
Amorphous Films ◽  
Hopping Transport ◽  
Tetrahedrally Bonded

Electronic and Optical Properties of Sn-Doped Zno with and without O Vacancy

2014 ◽  
Vol 576 ◽  
pp. 9-13
Author(s):  
Xiao Chun Lai ◽  
Yi Bin Hou ◽  
Zhen Hui Sun ◽  
Lan Li Chen
Keyword(s):  
Optical Properties ◽  
Fermi Level ◽  
First Principles ◽  
Electron Transition ◽  
Low Energy ◽  
Optical Absorption Edge ◽  
Electronic And Optical Properties ◽  
Sn Doping ◽  
Doped Zno ◽  
O Vacancy

A systematic study on electronic and optical properties of Sn-doped ZnO with and without O vacancy has been performed using first-principles method. Our results revealed that the band gap of Sn-doped ZnO without O vacancy become narrow, demonstrating as red-shift and the electrons near the Fermi level originates from the delocalized Sn-5s. However, as O vacancy is introduced, Sn-5p states locate near the Fermi level. Furthermore, it is found that the optical absorption edge has been obviously changed after Sn doping in ZnO with and without O vacancy. Interestingly, in the low energy region, one new peak is observed for Sn-doped ZnO with O vacancy, due to the electron transition between Sn-5p and O-2p. The calculated results identify that O vacancy can improve the absorption of the visible light in Sn-doped ZnO.

Equilibrium-thickness Amorphous Films on {} surfaces of Bi2O3-doped ZnO

1999 ◽  
Vol 19 (6-7) ◽  
pp. 697-701 ◽  
Author(s):  
Jian Luo ◽  
Yet-Ming Chiang
Keyword(s):  
Amorphous Films ◽  
Doped Zno ◽  
Equilibrium Thickness

EFFECTS OF OXYGEN VACANCY ON MAGNETIC PROPERTIES OF COBALT-DOPED ZnO DILUTE MAGNETIC SEMICONDUCTORS

2013 ◽  
Vol 27 (17) ◽  
pp. 1350078 ◽  
Author(s):  
H. L. TAO ◽  
Z. H. ZHANG ◽  
L. L. PAN ◽  
M. HE ◽  
B. SONG ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Oxygen Vacancy ◽  
Fermi Level ◽  
Magnetic Semiconductors ◽  
Dilute Magnetic Semiconductors ◽  
First Principle ◽  
Doped Zno ◽  
Valence Bands ◽  
Formation Energies ◽  
Co Doped

Effects of oxygen vacancy (Vo) on magnetic properties of Co -doped ZnO are investigated by first principle calculations. The calculated formation energies of Vo with different bonding to Co atom indicate that Vo prefers location near Co atom, implying a strong local interaction between the Co atom and O -vacancy. Induced by Vo, the Co -3d and O -2p valence bands upward shift towards the Fermi level, leading to the presence of additional carriers at the Fermi level. The delocalized carriers and the substitutional Co ion play a key role in the occurrence and stability of ferromagnetism of Co -doped ZnO .

Al-doped ZnO amorphous films as conductive layers in ultra-low absorptive optical coatings

2016 ◽  
Author(s):  
Ashot Markosyan ◽  
Riccardo Bassiri ◽  
Robert Faris ◽  
Valery Mitrofanov ◽  
Leonid Prokhorov ◽  
...  
Keyword(s):  
Optical Coatings ◽  
Amorphous Films ◽  
Doped Zno

Tunneling Spectroscopy of Magnetic Impurities (=Mn,Fe,Co) in ZnO

2007 ◽  
Vol 1035 ◽  
Author(s):  
Takashi Tamura ◽  
Changman Kim ◽  
Yasushi Oikawa ◽  
Hajime Ozaki
Keyword(s):  
Fermi Level ◽  
Theoretical Calculation ◽  
Conduction Band ◽  
Density Of States ◽  
Tunneling Spectroscopy ◽  
Magnetic Impurities ◽  
Electronic Density ◽  
Doped Zno ◽  
Recent Theoretical Calculation ◽  
Co Doped

AbstractThe first observations have been made on the electronic density of states of Mn, Co and Fe-doped ZnO by tunneling spectroscopy. For Mn- and Co-doped ZnO, rising of DOS were observed around 2.8eV and 3.2eV below the bottom of the conduction band, respectively. In these cases, the Fermi level lay at the bottom of the conduction band. For Fe-doped ZnO, the DOS with about 1.2eV width was observed around the Fermi level in the mid-gap. The result reproduced the recent theoretical calculation.

Experimental observation on the Fermi level shift in polycrystalline Al-doped ZnO films

2012 ◽  
Vol 112 (1) ◽  
pp. 013718 ◽  
Author(s):  
Junjun Jia ◽  
Aiko Takasaki ◽  
Nobuto Oka ◽  
Yuzo Shigesato
Keyword(s):  
Fermi Level ◽  
Experimental Observation ◽  
Zno Films ◽  
Level Shift ◽  
Fermi Level Shift ◽  
Doped Zno
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