First-principles study of graphene under c-HfO2(111) layers: Electronic structures and transport properties

2016 ◽  
Vol 109 (8) ◽  
pp. 083105 ◽  
Author(s):  
Tomoaki Kaneko ◽  
Takahisa Ohno
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Electronic Structures ◽  
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 Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

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.

First-principles study on photoelectric and transport properties of CsXBr3 (X = Ge, Sn) and blue phosphorus van der Waals heterojunctions

2021 ◽  
Vol 129 (3) ◽  
pp. 035302
Author(s):  
Mengli Yao ◽  
Xiaojiao Zhang ◽  
Tian Wu ◽  
Biao Liu ◽  
Mingjun Li ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study
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