First-principles study on the electronic structure and transport properties of Mn3Cu4Bi4

2014 ◽  
Vol 83 ◽  
pp. 12-15 ◽  
Author(s):  
Song Chen ◽  
Kefeng Cai ◽  
Chunlei Wang
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
First Principles ◽  
First Principles Study

The electronic structure, mechanical flexibility and carrier mobility of black arsenic–phosphorus monolayers: a first principles study

2016 ◽  
Vol 18 (14) ◽  
pp. 9779-9787 ◽  
Author(s):  
Jie Sun ◽  
Na Lin ◽  
Hao Ren ◽  
Cheng Tang ◽  
Letao Yang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
First Principles Calculations ◽  
Layered Semiconductors ◽  
First Principles Study

First principles calculations are performed to systematically study the structure, mechanical, electrical, and transport properties of the new artificial layered semiconductors-black arsenic–phosphorus (b-AsP).

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.

First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

2012 ◽  
Vol 54 ◽  
pp. 287-292 ◽  
Author(s):  
Xiao-Jun Chen ◽  
Meng-Xue Zeng ◽  
Ren-Nian Wang ◽  
Zhou-Sheng Mo ◽  
Bi-Yu Tang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study
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