scholarly journals Strain effect on electronic structures of graphene nanoribbons: A first-principles study

2008 ◽  
Vol 129 (7) ◽  
pp. 074704 ◽  
Author(s):  
Lian Sun ◽  
Qunxiang Li ◽  
Hao Ren ◽  
Haibin Su ◽  
Q. W. Shi ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Graphene Nanoribbons ◽  
Strain Effect ◽  
First Principles Study

Conductive metal adatoms adsorbed on graphene nanoribbons: a first-principles study of electronic structures, magnetization and transport properties

2017 ◽  
Vol 5 (16) ◽  
pp. 4053-4062 ◽  
Author(s):  
Cai Xia Wu ◽  
Shi Zheng Wen ◽  
Li Kai Yan ◽  
Min Zhang ◽  
Teng Ying Ma ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Graphene Nanoribbons ◽  
First Principles Study

Metal adatoms have crucial effects on the transport properties of devices and exhibit different effects on 6ZGNR-based and 7ZGNR-based devices. The 7ZGNR-based devices show the opposite conductive order in 6ZGNR-based devices.

scholarly journals Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3058-3070
Author(s):  
Yu Zhou ◽  
Lan-Ting Shi ◽  
A-Kun Liang ◽  
Zhao-Yi Zeng ◽  
Xiang-Rong Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Thermodynamic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Pressure Range ◽  
Mechanical Stability ◽  
First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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