scholarly journals Low-Resistivity p-Type Doping in Wurtzite ZnS Using Codoping Method

2013 ◽  
Vol 2013 ◽  
pp. 1-4 ◽  
Author(s):  
Deng-Feng Li ◽  
Min Luo ◽  
Bo-Lin Li ◽  
Cheng-Bing Wu ◽  
Bo Deng ◽  
...  
Keyword(s):  
Carrier Concentration ◽  
First Principles ◽  
Ionization Energy ◽  
Formation Energy ◽  
First Principles Calculations ◽  
High Carrier Concentration ◽  
Low Resistivity ◽  
High Carrier ◽  
P Type ◽  
Codoping Method

By using first principles calculations, we propose a codoping method of using acceptors and donors simultaneously to realize low-resistivity and high carrier concentration p-type ZnS with wurtzite structure. The ionization energy of singleNScan be lowered by introducing theIIIZn-NS(III = Al, Ga, In) passivation system. Codoping method in ZnS (2N, III) has lower formation energy comparing with single doping of N since III elements act as reactive codopants.

An effective and efficient approach to p-type AlN by Be2:O codoping from first-principles calculations

2016 ◽  
Vol 30 (20) ◽  
pp. 1650257
Author(s):  
Meng Zhao ◽  
Wenjun Wang ◽  
Jun Wang ◽  
Junwei Yang ◽  
Weijie Hu ◽  
...  
Keyword(s):  
First Principles ◽  
Ionization Energy ◽  
Hole Concentration ◽  
Valence Band Maximum ◽  
First Principles Calculations ◽  
Mutual Compensation ◽  
Efficient Approach ◽  
P Type ◽  
Codoping Method

Various Be:O-codoped AlN crystals have been investigated via first-principles calculations to evaluate the role of the different combinations in effectively and efficiently inducing p-type carriers. It is found that the O atom is favored to bond with two Be atoms. The formed Be2:O complexes decrease the acceptor ionization energy to 0.11 eV, which is 0.16 eV lower than that of an isolated Be in AlN, implying that the hole concentration could probably be increased by 2–3 orders of magnitude. The electronic structure of Be2:O-codoped AlN shows that the lower ionization energy can be attributed to the interaction between Be and O. The Be–O complexes, despite failing to induce p-type carriers for the mutual compensation of Be and O, introduce new occupied states on the valence-band maximum (VBM) and hence the energy needed for the transition of electrons to the acceptor level is reduced. Thus, the Be2:O codoping method is expected to be an effective and efficient approach to realizing p-type AlN.

Formation of stable and reproducible low resistivity and high carrier concentration p-type ZnO doped at high pressure with Sb

2009 ◽  
Vol 95 (2) ◽  
pp. 022101 ◽  
Author(s):  
J. M. Qin ◽  
B. Yao ◽  
Y. Yan ◽  
J. Y. Zhang ◽  
X. P. Jia ◽  
...  
Keyword(s):  
High Pressure ◽  
Carrier Concentration ◽  
High Carrier Concentration ◽  
Low Resistivity ◽  
High Carrier ◽  
P Type

scholarly journals The role of the VZn–NO–H complex in the p-type conductivity in ZnO

2015 ◽  
Vol 17 (7) ◽  
pp. 5485-5489 ◽  
Author(s):  
M. N. Amini ◽  
R. Saniz ◽  
D. Lamoen ◽  
B. Partoens
Keyword(s):  
First Principles ◽  
Formation Energy ◽  
First Principles Calculations ◽  
Deep Acceptor ◽  
Type Conductivity ◽  
Acceptor Complex ◽  
Hole Level ◽  
P Type

With the help of first-principles calculations, we investigate the VZn–NO–H acceptor complex in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZn–NO, a complex known to exhibit p-type behavior. However, this additional H atom also occupies the hole level of VZn–NO making the VZn–NO–H complex a deep acceptor.

Extremely Low-Resistivity and High-Carrier-Concentration Si-Doped Al0.05Ga0.95N

2013 ◽  
Vol 6 (12) ◽  
pp. 121002 ◽  
Author(s):  
Toru Sugiyama ◽  
Daisuke Iida ◽  
Toshiki Yasuda ◽  
Motoaki Iwaya ◽  
Tetsuya Takeuchi ◽  
...  
Keyword(s):  
Carrier Concentration ◽  
High Carrier Concentration ◽  
Low Resistivity ◽  
High Carrier ◽  
Si Doped

Beryllium-Implanted P-Type GaN with High Carrier Concentration

2001 ◽  
Vol 40 (Part 2, No. 5A) ◽  
pp. L417-L419 ◽  
Author(s):  
Chang-Chin Yu ◽  
Chen-Fu Chu ◽  
Juen-Yen Tsai ◽  
Chia-Feng Lin ◽  
Wen-How Lan ◽  
...  
Keyword(s):  
Carrier Concentration ◽  
High Carrier Concentration ◽  
High Carrier ◽  
P Type

Electronic structure and thermoelectric properties of the Zintl compounds Sr5Al2Sb6 and Ca5Al2Sb6: first-principles study

RSC Advances ◽  
2015 ◽  
Vol 5 (63) ◽  
pp. 50720-50728 ◽  
Author(s):  
Lingyun Ye ◽  
Yuan Xu Wang ◽  
Jueming Yang ◽  
Yuli Yan ◽  
Jihua Zhang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
First Principles ◽  
High Carrier Concentration ◽  
Mn Doping ◽  
First Principles Study ◽  
High Carrier

A high carrier concentration may be realized by Na or Mn doping. The thermoelectric properties may be improved by tuning the carrier concentration.

First-Principles Calculations for Electronic Structures of Flourine-Doped ZnO

2011 ◽  
Vol 295-297 ◽  
pp. 1319-1321
Author(s):  
Qi Xin Wan ◽  
Lan Li Chen ◽  
Zhi Hua Xiong ◽  
Dong Mei Li
Keyword(s):  
Valence Band ◽  
First Principles ◽  
Electronic Structures ◽  
Formation Energy ◽  
First Principles Calculations ◽  
Doped Zno ◽  
P Type

The formation energy and electronic structures of Fluorine-doped ZnO have been calculated by the first principles. The calculated results show that Fi, which is easier to form under O-rich conditions, is helpful to achieve p-type ZnO. The main contribution of accept level are the hybridization between F(2p)，O (2p) and Zn(3d) states which are near the top of the valence band.

Defect formation of CuI-doped by group-IIB elements

2019 ◽  
Vol 33 (01) ◽  
pp. 1850423
Author(s):  
Hui Chen ◽  
Mu Gu
Keyword(s):  
First Principles ◽  
Formation Energy ◽  
Defect Formation ◽  
Valence Band Maximum ◽  
Acceptor Level ◽  
First Principles Calculations ◽  
Transition Energies ◽  
Band Maximum ◽  
P Type ◽  
Formation Energies

First-principles calculations have been performed to investigate the doping defects in CuI with group-IIB elements such as Zn, Cd and Hg. The calculated transition energies for substitutional Zn, Cd and Hg are 1.32, 1.28 and 0.60 eV, respectively. These group-IIB elements at the substitutional sites complex with a copper vacancy [Formula: see text] have the lower formation energies as compared to dopants located at the substitutional sites or interstitial sites, respectively. Among all the complex defects considered, [Formula: see text] has the lowest formation energy and it induces the acceptor level [Formula: see text] eV above the valence-band maximum (VBM), which is close to the acceptor level [Formula: see text] eV of [Formula: see text], suggesting that Hg may be a good dopant for CuI to improve its p-type conductivity.

Sign in / Sign up

Export Citation Format

Share Document