Crystal Structure and Calculated Electronic Band Structure of ZrTe3

1998 ◽  
Vol 138 (1) ◽  
pp. 160-168 ◽  
Author(s):  
Klaus Stöwe ◽  
Frank R Wagner
Keyword(s):  
Crystal Structure ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

Metastable MoS2 : Crystal Structure, Electronic Band Structure, Synthetic Approach and Intriguing Physical Properties

2018 ◽  
Vol 24 (60) ◽  
pp. 15942-15954 ◽  
Author(s):  
Wei Zhao ◽  
Jie Pan ◽  
Yuqiang Fang ◽  
Xiangli Che ◽  
Dong Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Band Structure ◽  
Physical Properties ◽  
Electronic Band Structure ◽  
Synthetic Approach ◽  
Electronic Band

Tetrahedrites as thermoelectric materials: an overview

2015 ◽  
Vol 3 (48) ◽  
pp. 12364-12378 ◽  
Author(s):  
R. Chetty ◽  
A. Bali ◽  
R. C. Mallik
Keyword(s):  
Crystal Structure ◽  
Band Structure ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Chemical Bonding ◽  
Electronic Band Structure ◽  
Electronic Band

This review discusses about the crystal structure, chemical bonding, and the electronic band structure of tetrahedrite materials. Also, this review outlines the effect of different doping elements on the thermoelectric properties of tetrahedrite materials.

scholarly journals Scrutinizing the stability and exploring the dependence of thermoelectric properties on band structure of 3d-3d metal-based double perovskites Ba2FeNiO6 and Ba2CoNiO6

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Shabir Ahmad Mir ◽  
Dinesh C. Gupta
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Band Structure ◽  
Room Temperature ◽  
Electronic Band Structure ◽  
Double Perovskites ◽  
Electronic Band ◽  
Half Metal ◽  
The Stability ◽  
Wasted Energy

AbstractThrough the conventional DFT computation, we have designed new oxide double perovskites Ba2FeNiO6 and Ba2CoNiO6. The structural and thermodynamic stabilities are predicted by optimizing the crystal structure and evaluation of enthalpy of formation, respectively. Then by using the optimized lattice constant, we have explored the different physical properties. The GGA + mBJ electronic band-structure illustrates Ba2FeNiO6 is a half-metal with 100% spin polarization at the Fermi level. While Ba2CoNiO6 shows a ferromagnetic semiconducting nature. The change in the electronic structure when Fe is replaced by Co is explained with the help of the orbital diagram and exchange interaction. The eg-eg hybridization that happens via O-p states is strong because Fe–O–Ni and Co–O–Ni bond angles are strictly 180°. The narrow bandgaps in the semiconducting channels prompted us to analyze the applicability of these materials towards thermoelectric technology. Besides this, we have investigated the dependency of transport properties on electronic band structure. The semiconducting nature in Ba2CoNiO6 results in a significant ZT around 0.8 at room temperature makes it suitable for wasted-energy regeneration

scholarly journals Synthesis and photoluminescence of Mn4+ activated ternary-alkaline fluoride K2NaGaF6 red phosphor for warm-white LED application

RSC Advances ◽  
2017 ◽  
Vol 7 (79) ◽  
pp. 50396-50402 ◽  
Author(s):  
Shijie Qiu ◽  
Hengwei Wei ◽  
Mengmeng Wang ◽  
Shuai Zhang ◽  
Yang Zhou ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Luminescence Properties ◽  
White Led ◽  
Electronic Band ◽  
Red Phosphor ◽  
Structure Morphology

A novel ternary-alkaline red emitting fluoride phosphor K2NaGaF6:Mn4+ was successfully synthesized. The crystal structure, morphology, electronic band structure and luminescence properties of K2NaGaF6:Mn4+ phosphors were investigated in detail.

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