scholarly journals Relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn: Consistent parameterization and prediction of Seebeck coefficients

2018 ◽  
Vol 123 (8) ◽  
pp. 085114 ◽  
Author(s):  
Guangsha Shi ◽  
Emmanouil Kioupakis
Keyword(s):  
Band Structures ◽  
Seebeck Coefficients ◽  
Quasiparticle Band

scholarly journals Convergence of quasiparticle band structures of Si and Ge nanowires in theGWapproximation and the validity of scissor shifts

2011 ◽  
Vol 83 (4) ◽  
Author(s):  
H. Peelaers ◽  
B. Partoens ◽  
M. Giantomassi ◽  
T. Rangel ◽  
E. Goossens ◽  
...  
Keyword(s):  
Band Structures ◽  
Quasiparticle Band

Quasiparticle band structures of the 4d perovskite oxides SrZrO3 and BaZrO3

2021 ◽  
Vol 104 (19) ◽  
Author(s):  
Gabriel Lopez-Candales ◽  
Zhao Tang ◽  
Greis J. Cruz ◽  
Weiyi Xia ◽  
Fanhao Jia ◽  
...  
Keyword(s):  
Perovskite Oxides ◽  
Band Structures ◽  
Quasiparticle Band

Quasiparticle band structures and optical properties of twisted bilayer MoS(2)

2021 ◽  
Author(s):  
Fuli He ◽  
Jia Li ◽  
Linyang Li ◽  
Xiujuan Mao ◽  
Ze Liu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Structures ◽  
Quasiparticle Band

Quasiparticle band structures and optical properties of monolayer ZrNX (X=Cl, Br, I) under exciton effect

2020 ◽  
Vol 322 ◽  
pp. 114049
Author(s):  
Qi-Dong Hao ◽  
Yan Luo ◽  
Zhao-Yi Zeng ◽  
Xiang-Rong Chen ◽  
Qi-Feng Chen
Keyword(s):  
Optical Properties ◽  
Band Structures ◽  
Exciton Effect ◽  
Quasiparticle Band

Quasiparticle Band Structures of Defects in Anatase TiO2 Bulk

2017 ◽  
Vol 30 (6) ◽  
pp. 771-775 ◽  
Author(s):  
Ting-wei Chen ◽  
Ya-nan Hao ◽  
Yu-chen Ma
Keyword(s):  
Anatase Tio2 ◽  
Band Structures ◽  
Quasiparticle Band

scholarly journals All-electron GW quasiparticle band structures of group 14 nitride compounds

2014 ◽  
Vol 141 (4) ◽  
pp. 044709 ◽  
Author(s):  
Iek-Heng Chu ◽  
Anton Kozhevnikov ◽  
Thomas C. Schulthess ◽  
Hai-Ping Cheng
Keyword(s):  
Group 14 ◽  
Band Structures ◽  
Quasiparticle Band

Band Structures and Transport Properties of Half-Heusler Compounds NbMSb (M = Fe, Ru)

2016 ◽  
Vol 847 ◽  
pp. 171-176
Author(s):  
Teng Fang ◽  
Shu Qi Zheng ◽  
Hong Chen ◽  
Peng Zhang
Keyword(s):  
Transport Properties ◽  
Valence Band Maximum ◽  
Thermoelectric Generators ◽  
Heusler Compounds ◽  
Boltzmann Transport ◽  
Band Structures ◽  
Seebeck Coefficients ◽  
Electrical Conductivities ◽  
Scattering Time ◽  
P Type

The band structures and transport properties of Half-Heusler compounds NbFeSb and NbRuSb were studied using ab initio calculations and the Boltzmann transport equation with constant scattering time approximation (CSTA). Both compounds were identified as good p-type thermoelectric materials because of the combination of heavy and light bands in the valence band maximum (VBM). The Seebeck coefficients for NbRuSb were lower than that for NbFeSb; while the electrical conductivities for NbRuSb were little higher than that for NbFeSb. Consequently, the power factors in the p-type regimes for both compounds were similar at a given temperature. NbFeSb and NbRuSb could be efficient materials for thermoelectric generators based on the results in the present investigation.

scholarly journals Quasiparticle band structures of CuCl, CuBr, AgCl, and AgBr: The extreme case

2018 ◽  
Vol 98 (4) ◽  
Author(s):  
Weiwei Gao ◽  
Weiyi Xia ◽  
Yabei Wu ◽  
Wei Ren ◽  
Xiang Gao ◽  
...  
Keyword(s):  
Extreme Case ◽  
Band Structures ◽  
Quasiparticle Band
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