scholarly journals Thermoelectric performance of p-type half-Heusler alloys ScMSb (M = Ni, Pd, Pt) by ab initio calculations

2018 ◽  
Vol 762 ◽  
pp. 901-905 ◽  
Author(s):  
Maciej J. Winiarski ◽  
Kaja Bilińska ◽  
Kamil Ciesielski ◽  
Dariusz Kaczorowski
2019 ◽  
Vol 32 (8) ◽  
pp. 2479-2488 ◽  
Author(s):  
Ahmad Asadi Mohammad Abadi ◽  
Ghasem Forozani ◽  
Seyyed Mahdy Baizaee ◽  
Abdolrasoul Gharaati

2019 ◽  
Vol 48 (10) ◽  
pp. 6700-6709 ◽  
Author(s):  
Nagendra S. Chauhan ◽  
Sivaiah Bathula ◽  
Bhasker Gahtori ◽  
Yury V. Kolen’ko ◽  
Ajay Dhar

2009 ◽  
Vol 105 (6) ◽  
pp. 063701 ◽  
Author(s):  
Eric S. Toberer ◽  
Andrew F. May ◽  
Cidney J. Scanlon ◽  
G. Jeffery Snyder

2013 ◽  
Vol 738-739 ◽  
pp. 473-477 ◽  
Author(s):  
Mikhail A. Zagrebin ◽  
Vladimir V. Sokolovskiy ◽  
Vasiliy D. Buchelnikov

In this work the magnetic properties (exchange parameters, magnetic moment of non-stoichiometric Ni–Mn–Ga Heusler alloys with structural disorder by the help of ab initio calculations have been performed. Theoretical composition dependences of the total magnetic moment are in qualitative agreement in qualitative agreement with experimental data. Calculations of exchange parameters show that interactions between the Mn atoms in regular positions and Mn atoms in Ni and Ga positions are antiferromagnetic.


2013 ◽  
Vol 27 (30) ◽  
pp. 1350219 ◽  
Author(s):  
S. BAHLOULI ◽  
Z. AARIZOU ◽  
M. ELCHIKH

In this paper, we present ab initio calculations within density functional theory (DFT) to investigate structure, electronic and magnetic properties of Ru 2 CrZ ( Z = Si , Ge and Sn ) full-Heusler alloys. We have used the developed full-potential linearized muffin tin orbitals (FP-LMTO) based on the local spin density approximation (LSDA) with the PLane Wave expansion (PLW). In particular, we found that these Ruthenium-based Heusler alloys have the antiferromagnetic (AFM) type II as ground state. Then, we studied and discussed the magnetic properties belonging to our different magnetic structures: AFM type II, AFM type I and ferromagnetic (FM) phase. We also found that Ru 2 CrSi and Ru 2 CrGe exhibit a semiconducting behavior whereas Ru 2 CrSn has a semimetallic-like behavior as it is experimentally found. We made an estimation of Néel temperatures (T N ) in the framework of the mean-field theory and used the energy differences approach to deduce the relevant short-range nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions. The calculated T N are somewhat overestimated to the available experimental ones.


2013 ◽  
Vol 202 ◽  
pp. 70-76 ◽  
Author(s):  
Pramathesh Maji ◽  
Julien P.A. Makongo ◽  
Xiaoyuan Zhou ◽  
Hang Chi ◽  
Ctirad Uher ◽  
...  

2021 ◽  
Vol 28 ◽  
pp. e00573
Author(s):  
A. Guezmir ◽  
H. Rached ◽  
A. Bentouaf ◽  
M. Caid ◽  
N. Benkhettou ◽  
...  

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