Evolution of the electronic structure and physical properties of Fe2MeAl (Me = Ti, V, Cr) Heusler alloys

2008 ◽  
Vol 20 (4) ◽  
pp. 045212 ◽  
Author(s):  
E Shreder ◽  
S V Streltsov ◽  
A Svyazhin ◽  
A Makhnev ◽  
V V Marchenkov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Heusler Alloys

Electronic structure, physical properties and ionic mobility of LiAg2Sn

2003 ◽  
Vol 13 (10) ◽  
pp. 2561-2565 ◽  
Author(s):  
Zhiyun Wu ◽  
Rolf-Dieter Hoffmann ◽  
Dirk Johrendt ◽  
Bernd D. Mosel ◽  
Hellmut Eckert ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Ionic Mobility

Tailoring the electronic structure of half-metallic Heusler alloys

2009 ◽  
Vol 80 (14) ◽  
Author(s):  
P. Klaer ◽  
M. Kallmayer ◽  
C. G. F. Blum ◽  
T. Graf ◽  
J. Barth ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Heusler Alloys ◽  
Half Metallic

scholarly journals Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2polymorphs

2016 ◽  
Vol 18 (17) ◽  
pp. 12357-12367 ◽  
Author(s):  
Kyoung Chul Ko ◽  
Oriol Lamiel-García ◽  
Jin Yong Lee ◽  
Francesc Illas
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Hybrid Functional

A modified hybrid functional is proposed to properly describe the electronic structure and physical properties for stoichiometric and reduced TiO2polymorphs.

scholarly journals Effect of Zn doping on phase transition and electronic structures of Heusler-type Pd2Cr-based alloys: from normal to all-d-metal Heusler

RSC Advances ◽  
2020 ◽  
Vol 10 (30) ◽  
pp. 17829-17835
Author(s):  
Xiaotian Wang ◽  
Mengxin Wu ◽  
Tie Yang ◽  
Rabah Khenata
Keyword(s):  
Phase Transition ◽  
Electronic Structure ◽  
First Principles ◽  
Electronic Structures ◽  
Heusler Alloys ◽  
First Principles Calculations ◽  
Zn Doping

By first-principles calculations, for Heusler alloys Pd2CrZ (Z = Al, Ga, In, Tl, Si, Sn, P, As, Sb, Bi, Se, Te, Zn), the effect of Zn doping on their phase transition and electronic structure has been studied in this work.

Electronic structure and optical physical properties of oligothiophenes

2007 ◽  
Vol 39 (3) ◽  
pp. 673-677 ◽  
Author(s):  
Yu Sun ◽  
Yuanzuo Li ◽  
Yongqing Li ◽  
Fengcai Ma
Keyword(s):  
Electronic Structure ◽  
Physical Properties
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