Electronic structure, magnetic, optical and thermodynamic properties of Ni2Mn1-xRexSn and NiMn1-xRexSn Heusler alloys – ab-initio study

2019 ◽  
Vol 803 ◽  
pp. 153-164 ◽  
Author(s):  
Andrzej Jezierski
Keyword(s):  
Electronic Structure ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Heusler Alloys ◽  
Ab Initio Study

Ab Initio Study of the Electronic Structure, Elastic Properties, Magnetic Feature and Thermodynamic Properties of the Ba2NiMoO6 Material

2018 ◽  
Vol 192 (5-6) ◽  
pp. 265-285 ◽  
Author(s):  
C. E. Deluque Toro ◽  
A. S. Mosquera Polo ◽  
A. V. Gil Rebaza ◽  
D. A. Landínez Téllez ◽  
J. Roa-Rojas
Keyword(s):  
Electronic Structure ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Elastic Properties ◽  
Magnetic Feature ◽  
Ab Initio Study

Ab Initio Study of the Structural, Magnetic, Electronic, and Thermodynamic Properties of Pd2MnZ (Z = Ga, Ge, As) Heusler Alloys

2018 ◽  
Vol 60 (6) ◽  
pp. 1139-1145 ◽  
Author(s):  
O. N. Miroshkina ◽  
M. A. Zagrebin ◽  
V. V. Sokolovskiy ◽  
V. D. Buchelnikov
Keyword(s):  
Thermodynamic Properties ◽  
Ab Initio ◽  
Heusler Alloys ◽  
Ab Initio Study

Electronic structure properties of new equiatomic CoCuMnZ (Z=In, Sn, Sb) quaternary Heusler alloys: An ab-initio study

2018 ◽  
Vol 748 ◽  
pp. 298-304 ◽  
Author(s):  
Aarti R. Chandra ◽  
Vishal Jain ◽  
N. Lakshmi ◽  
Vivek Kumar Jain ◽  
Kumavat Soni ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Heusler Alloys ◽  
Ab Initio Study ◽  
Quaternary Heusler Alloys ◽  
Structure Properties

Ab-initio study of the structural, electronic, elastic and thermodynamic properties of Sc3XB (X=Sn, Al, Hf)

2021 ◽  
pp. 114305
Author(s):  
A. Benamer ◽  
Y. Medkour ◽  
S.Sâad Essaoud ◽  
S. Chaddadi ◽  
A. Roumili
Keyword(s):  
Thermodynamic Properties ◽  
Ab Initio ◽  
Ab Initio Study

Electronic structure and optical properties of CuWO4: An ab initio study

2012 ◽  
Vol 63 ◽  
pp. 163-167 ◽  
Author(s):  
M.V. Lalić ◽  
Z.S. Popović ◽  
F.R. Vukajlović
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Study

Effect of Chromium and Vanadium on Nanolayered Ternary Carbides: AB Initio Study

2009 ◽  
Vol 609 ◽  
pp. 239-242
Author(s):  
A.E. Merad ◽  
M.B. Kanoun
Keyword(s):  
Electronic Structure ◽  
Total Energy ◽  
Ab Initio ◽  
Structural Parameters ◽  
Ab Initio Study ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation ◽  
Full Relaxation ◽  
Relaxation Procedure ◽  
Ternary Carbides

The Cr2AlC and V2AlC nanolayered ternary carbides are studied by performing APW-lo ab initio total energy calculations within the recent Wu-Cohen generalized gradient approximation GGA. Using full relaxation procedure of the volume and the atomic positions we obtained the structural parameters and electronic structure of the optimization hexagonal. Results were compared with the experimental ones. Interesting features are deduced. In fact, we have shown why these materials are conductors.

Tailoring the electronic structure and magnetic properties of pyrochlore Co2Ti1-xGexO4: A GGA+U ab initio study

2021 ◽  
Author(s):  
Sayandeep Ghosh ◽  
Sobhit Singh ◽  
Debashish Das ◽  
Subhradip Ghosh ◽  
Pankaj Kumar Mishra ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Study
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