Investigation of the physical properties of the equiatomic quaternary Heusler alloy CoYCrZ (Z = Si and Ge): a DFT study

2020 ◽  
Vol 126 (3) ◽  
Author(s):  
S. Idrissi ◽  
H. Labrim ◽  
S. Ziti ◽  
L. Bahmad
Keyword(s):  
Physical Properties ◽  
Heusler Alloy ◽  
Dft Study

DFT study with different exchange-correlation potentials of physical properties of the new synthesized alkali-metal based Heusler alloy

2020 ◽  
Vol 93 (11) ◽  
Author(s):  
Tariq Hadji ◽  
Hafid Khalfoun ◽  
Habib Rached ◽  
Youcef Guermit ◽  
Ahmed Azzouz-Rached ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Physical Properties ◽  
Heusler Alloy ◽  
Dft Study ◽  
Exchange Correlation

Physical properties of ultrasonically spray deposited Yttrium-doped SnO2 nanostructured films: supported by DFT study

2021 ◽  
Vol 127 (4) ◽  
Author(s):  
Esra Kaya ◽  
Ali Uğur ◽  
Arife Gencer Imer ◽  
Murat Aycibin ◽  
Yusuf Selim Ocak
Keyword(s):  
Physical Properties ◽  
Dft Study ◽  
Nanostructured Films

Spectral Properties of α and β L Rhamno-Indigo Molecules and Activities Prediction Through NBO Analysis. A DFT Study

2016 ◽  
Vol 230 (5-7) ◽  
Author(s):  
Khadidja Adjir ◽  
Majda Sekkal-Rahal ◽  
Aurélien Moncomble ◽  
Jean-Paul Cornard
Keyword(s):  
Physical Properties ◽  
Spectral Properties ◽  
Nbo Analysis ◽  
Dft Study ◽  
Spectral Features

AbstractStructural and physical properties such as some spectral features of

Effect of structural disorder on some physical properties of the Cu2MnAl Heusler alloy films

2005 ◽  
Vol 97 (11) ◽  
pp. 113903 ◽  
Author(s):  
Y. V. Kudryavtsev ◽  
V. A. Oksenenko ◽  
N. N. Lee ◽  
Y. P. Lee ◽  
J. Y. Rhee ◽  
...  
Keyword(s):  
Physical Properties ◽  
Heusler Alloy ◽  
Structural Disorder ◽  
Alloy Films

Martensitic transformation and magnetic properties in Pd2MnGa Heusler alloy by DFT study

2019 ◽  
Vol 33 (07) ◽  
pp. 1950074
Author(s):  
Bin Yang ◽  
Zhinan Li ◽  
Fanghui Zhu ◽  
Liwu Jiang ◽  
Chuan-Hui Zhang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Martensitic Transformation ◽  
Magnetic Moment ◽  
First Principles ◽  
Heusler Alloy ◽  
Theoretical Calculations ◽  
Text Structure ◽  
Dft Study ◽  
First Principles Calculations

The electronic structure, martensitic transformation and magnetic properties of [Formula: see text] Heusler alloy were studied by first-principles calculations. It is found that the stable structure of austenitic [Formula: see text] is the ferromagnetic [Formula: see text] structure, and a martensitic transformation is possible to occur with the distortion degree of 1.26. By the analysis of the electronic structure, some results of magnetic moment are consistent with previous theoretical calculations.

Electronic, magnetic, thermoelectric and lattice dynamical properties of full heusler alloy Mn2RhSi: DFT study

2018 ◽  
Vol 550 ◽  
pp. 376-382 ◽  
Author(s):  
Pratik D. Patel ◽  
Sharad Babu Pillai ◽  
Satyam M. Shinde ◽  
Sanjay D. Gupta ◽  
Prafulla K. Jha
Keyword(s):  
Heusler Alloy ◽  
Dft Study ◽  
Dynamical Properties ◽  
Full Heusler
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