Heusler Compounds Go Nano

2015 ◽  
pp. 111-132 ◽  
Author(s):  
Judith Meyer ◽  
Niclas Teichert ◽  
Alexander Auge ◽  
Changhai Wang ◽  
Andreas Hütten ◽  
...  
Keyword(s):  
Heusler Compounds

Solubility Limit and Annealing Effects on the Microstructure & Thermoelectricproperties of Fe 2V 1-XTa xAl 1-YSi y Heusler Compounds

2021 ◽  
Author(s):  
Fabian Garmroudi ◽  
Michael Parzer ◽  
Alexander Riss ◽  
Nikolas Reumann ◽  
Bernhard Hinterleitner ◽  
...  
Keyword(s):  
Solubility Limit ◽  
Heusler Compounds ◽  
Annealing Effects

Boosting the thermoelectric performance of Fe2VAl−type Heusler compounds by band engineering

2021 ◽  
Vol 103 (8) ◽  
Author(s):  
F. Garmroudi ◽  
A. Riss ◽  
M. Parzer ◽  
N. Reumann ◽  
H. Müller ◽  
...  
Keyword(s):  
Thermoelectric Performance ◽  
Heusler Compounds ◽  
Band Engineering

Magnetic Properties of Intermediate Ni2-xMn1+xSb Full-Heusler Compounds

2021 ◽  
pp. 111427
Author(s):  
Bal Govind ◽  
Purnima Bharti ◽  
Manisha Srivastava ◽  
Ashish Kumar ◽  
Sahiba Bano ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Heusler Compounds ◽  
Full Heusler

Study of thermo-elastic and lattice dynamics properties of half-Heusler compounds XMgAl (X = Li, Na) by computational investigations

2019 ◽  
Vol 33 (08) ◽  
pp. 1950093 ◽  
Author(s):  
A. Afaq ◽  
Abu Bakar ◽  
M. Rizwan ◽  
M. Aftab Fareed ◽  
H. Bushra Munir ◽  
...  
Keyword(s):  
Debye Temperature ◽  
Elastic Constants ◽  
Density Functional ◽  
Phonon Dispersion ◽  
Dynamic Properties ◽  
Mechanical Parameters ◽  
Heusler Compounds ◽  
Generalized Gradient ◽  
Text Type ◽  
Quantum Espresso

In this study, thermo-elastic and lattice dynamic properties of XMgAl (X = Li, Na) half-Heusler compounds are investigated using density functional theory implemented in WIEN2k and Quantum ESPRESSO codes. Generalized gradient approximation (GGA) as an exchange correlation function has been used in Kohn–Sham equations. Firstly, the structure of these Heusler compounds is optimized and then these optimized parameters are used to find three elastic constants [Formula: see text], [Formula: see text] and [Formula: see text] for [Formula: see text] type structures. Three elastic constants are then used to determine different elastic moduli like bulk modulus, shear modulus, Young’s modulus and other mechanical parameters like Pugh’s ratio, Poisson’s ratio, anisotropic ratio, sound velocities, Debye temperature and melting temperature. On behalf of these mechanical parameters, the brittle/ductile nature and isotropic/anisotropic behavior of the materials has been studied. Different regions of vibrational modes in the materials are also discussed on behalf of Debye temperature calculations. The vibrational properties of the half-Heusler compounds are computed using Martins–Troullier pseudo potentials implemented in Quantum ESPRESSO. The phonon dispersion curves and phonon density of states in first Brillion zone are obtained and discussed. Reststrahlen band of LiMgAl is found greater than NaMgAl.

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