scholarly journals Simulations of Defect-Interface Interactions in GaN

2000 ◽  
Vol 5 (S1) ◽  
pp. 287-293
Author(s):  
J. A. Chisholm ◽  
P. D. Bristowe
Keyword(s):  
Electronic Structure ◽  
Binding Energy ◽  
Point Defects ◽  
Potential Model ◽  
Pair Potential ◽  
Planar Defects ◽  
Native Defects ◽  
Native Point Defects ◽  
Bulk Gan ◽  
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We report on the interaction of native point defects with commonly observed planar defects in GaN. Using a pair potential model we find a positive binding energy for all native defects to the three boundary structures investigated indicating a preference for native defects to form in these interfaces. The binding energy is highest for the Ga interstitial and lowest for vacancies. Interstitials, which are not thought to occur in significant concentrations in bulk GaN, should form in the (11 0) IDB and the (10 0) SMB and consequently alter the electronic structure of these boundaries.

Simulations of Defect-Interface Interactions in GaN

1999 ◽  
Vol 595 ◽  
Author(s):  
J. A. Chisholm ◽  
P. D. Bristowe
Keyword(s):  
Electronic Structure ◽  
Binding Energy ◽  
Point Defects ◽  
Potential Model ◽  
Pair Potential ◽  
Planar Defects ◽  
Native Defects ◽  
Native Point Defects ◽  
Bulk Gan

AbstractWe report on the interaction of native point defects with commonly observed planar defects in GaN. Using a pair potential model we find a positive binding energy for all native defects to the three boundary structures investigated indicating a preference for native defects to form in these interfaces. The binding energy is highest for the Ga interstitial and lowest for vacancies. Interstitials, which are not thought to occur in significant concentrations in bulk GaN, should form in the (11 20) IDB and the (10 10) SMB and consequently alter the electronic structure of these boundaries.

scholarly journals Electronic structure of N-doped graphene with native point defects

2013 ◽  
Vol 87 (16) ◽  
Author(s):  
Zhufeng Hou ◽  
Xianlong Wang ◽  
Takashi Ikeda ◽  
Kiyoyuki Terakura ◽  
Masaharu Oshima ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Point Defects ◽  
Native Point Defects ◽  
Doped Graphene

scholarly journals Energetics and electronic structure of native point defects in α-Ga2O3

2019 ◽  
Vol 12 (9) ◽  
pp. 091001 ◽  
Author(s):  
Takuma Kobayashi ◽  
Tomoya Gake ◽  
Yu Kumagai ◽  
Fumiyasu Oba ◽  
Yu-ichiro Matsushita
Keyword(s):  
Electronic Structure ◽  
Point Defects ◽  
Native Point Defects

Optoelectronic properties and color chemistry of native point defects in Al:ZnO transparent conductive oxide

2015 ◽  
Vol 3 (32) ◽  
pp. 8419-8424 ◽  
Author(s):  
Alessandra Catellani ◽  
Alice Ruini ◽  
Arrigo Calzolari
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Transparent Conductive Oxide ◽  
Optoelectronic Properties ◽  
First Principles Calculations ◽  
Native Defects ◽  
Native Point Defects ◽  
Conductive Oxide

The effects of native defects (e.g. VO, VZn, H) on the TCO properties and color of an Al:ZnO (AZO) material are investigated using first principles calculations.

Properties of Point Defects in Silicon: New Results after a Long-Time Debate

2013 ◽  
Vol 205-206 ◽  
pp. 151-156 ◽  
Author(s):  
Hartmut Bracht ◽  
René Kube ◽  
Erwin Hüger ◽  
Harald Schmidt
Keyword(s):  
Point Defects ◽  
Electronic Devices ◽  
Dopant Diffusion ◽  
Temperature Dependent ◽  
Native Defects ◽  
Defect Clusters ◽  
Self Diffusion ◽  
Native Point Defects ◽  
Long Time ◽  
Silicon Based

The contributions of vacancies and self-interstitials to silicon (Si) self-diffusion are a matter of debate since many years. These native defects are involved in dopant diffusion and the formation of defect clusters and thus influence many processes that take place during Si single crystal growth and the fabrication of silicon based electronic devices. Considering their relevance it is remarkable that present data about the properties of native point defects in Si are still limited and controversy. This work reports recent results on the properties of native point defects in silicon deduced from self-diffusion experiments below 850°C. The temperature dependence of silicon self-diffusion is accurately described by contributions due to vacancies and self-interstitials assuming temperature dependent vacancy properties. The concept of vacancies whose thermodynamic properties change with temperature solves the inconsistency between self-and dopant diffusion in Si but further experiments are required to verify this concept and to prove its relevance for other material systems.

Blue Phosphorene Nanosheets with Point Defects: Electronic Structure and Hydrogen Storage Capability

2021 ◽  
pp. 149363
Author(s):  
Daughty John ◽  
Bijoy Nharangatt ◽  
Srihari Madhav Kastaur ◽  
Raghu Chatanathodi
Keyword(s):  
Electronic Structure ◽  
Hydrogen Storage ◽  
Point Defects ◽  
Blue Phosphorene
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