Ab Initio Prediction of Mechanical and Electronic Properties of Ultrahigh Temperature High-Entropy Ceramics (Hf0.2 Zr0.2 Ta0.2 M0.2 Ti0.2 )B2 (M = Nb, Mo, Cr)

2018 ◽  
Vol 255 (8) ◽  
pp. 1800011 ◽  
Author(s):  
Ya-Ping Wang ◽  
Guo-Yong Gan ◽  
Wei Wang ◽  
Yan Yang ◽  
Bi-Yu Tang
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
High Entropy ◽  
Ab Initio Prediction ◽  
Ultrahigh Temperature

Structural, mechanical and electronic properties of (TaNbHfTiZr)C high entropy carbide under pressure: Ab initio investigation

2018 ◽  
Vol 550 ◽  
pp. 163-170 ◽  
Author(s):  
Yan Yang ◽  
Wei Wang ◽  
Guo-Yong Gan ◽  
Xue-Feng Shi ◽  
Bi-Yu Tang
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
High Entropy

scholarly journals Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice

2021 ◽  
Vol 125 (7) ◽  
pp. 4267-4276
Author(s):  
William Lafargue-Dit-Hauret ◽  
Camille Latouche ◽  
Stéphane Jobic
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Host Lattice ◽  
Redox Potentials ◽  
Ab Initio Prediction

Direct Laser Cooling Schemes for the Triatomic SOH and SeOH Molecules Based on Ab Initio Electronic Properties

2020 ◽  
Author(s):  
Li Liu ◽  
Chuan-Lu Yang ◽  
Zhaopeng Sun ◽  
Meishan Wang ◽  
Xiano-Guang Ma
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Electronic Properties ◽  
Laser Cooling ◽  
Promising Method ◽  
Optical Scheme ◽  
Electronic And Optical Properties ◽  
Cold Molecules ◽  
Direct Laser

The direct laser cooling is a very promising method to obtain cold molecules for various applications. However, a molecule with satisfactory electronic and optical properties for the optical scheme is...

Sign in / Sign up

Export Citation Format

Share Document