New Quaternary Chalcogenides, Tl18Pb2M7Q25(M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties

2013 ◽  
Vol 52 (4) ◽  
pp. 1895-1900 ◽  
Author(s):  
Cheriyedath Raj Sankar ◽  
Anna Becker ◽  
Abdeljalil Assoud ◽  
Holger Kleinke
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Transport Properties ◽  
Electrical Transport ◽  
Electrical Transport Properties

scholarly journals Electronic structure and electrical transport properties of LaCo1−xNixO3(0 ≤ x ≤0.5)

2013 ◽  
Vol 114 (7) ◽  
pp. 073704 ◽  
Author(s):  
Vinod Kumar ◽  
Rajesh Kumar ◽  
D. K. Shukla ◽  
Sanjeev Gautam ◽  
Keun Hwa Chae ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Electrical Transport ◽  
Electrical Transport Properties

Electronic structure and electrical transport properties of MoS2 single-walled nanotubes based on first principles

2021 ◽  
Author(s):  
Wen Yang ◽  
Lili Wang ◽  
Yiming Mi ◽  
Guanghong Zhong ◽  
Qiuju Ma ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Power Factor ◽  
Electrical Transport ◽  
Maximum Power ◽  
Boltzmann Transport ◽  
Electrical Transport Properties ◽  
Text Type ◽  
Maximum Power Factor ◽  
Transport Method

The work theoretically calculated the electronic structure and electrical transport properties of two configurations of single-walled MoS2 nanotubes: armchair nanotubes (ANTs) and zigzag nanotubes (ZNTs) based on the density functional theory and Boltzmann transport method. ANTs have an indirect one. while ZNTs have a direct bandgap structure. The Seebeck coefficient ([Formula: see text]), electrical conductivity ([Formula: see text] and power factor ([Formula: see text] were calculated as a function of carrier concentration, chemical potential and temperature using the Boltzmann transport method. The calculated power factor ([Formula: see text]) indicates that the most promising electronic properties were exhibited by [Formula: see text]-type ANTs and [Formula: see text]-type ZNTs. The [Formula: see text] of narrow bandgap (6, 6) (7, 7) (8, 8) semiconductors reached [Formula: see text], [Formula: see text] and [Formula: see text]WK[Formula: see text]m[Formula: see text] at room-temperature, respectively. (7, 7) nanotube have a maximum power factor of [Formula: see text]WK[Formula: see text]m[Formula: see text] at 950 K, and the maximum power factor of ANTs is almost twice that of ZNTs.

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