Effect of Fe substitution on the electronic structure, magnetic and thermoelectric properties of Co 2 FeSi full Heusler alloy: A first principle study

In the combined framework of density functional and Boltzmann transport theory, we have systematically studied the electronic structure, mechanical stability and thermoelectric properties of the semiconducting quaternary Heusler alloy, CoFeTiAl.

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Erratum to: First-principle calculations of the electronic structure and magnetism in antiferromagnetic full Heusler compounds Ru2CrZ (Ge, Sn, Si)

EPJ Web of Conferences ◽

10.1051/epjconf/20134404008 ◽

2013 ◽

Vol 44 ◽

pp. 04008

Author(s):

Z. Aarizou ◽

S. Bahlouli ◽

M. Elchikh

Keyword(s):

Electronic Structure ◽

First Principle ◽

Heusler Compounds ◽

First Principle Calculations ◽

Full Heusler

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DFT – GGA calculations of magnetic, elastic, thermodynamic and thermoelectric properties of Co2YAl (Y = Ti, V) full Heusler alloy systems

Materials Science and Engineering B ◽

10.1016/j.mseb.2020.114739 ◽

2020 ◽

Vol 262 ◽

pp. 114739

Author(s):

R.S. Sunmonu ◽

J.O. Akinlami ◽

E.O. Dare ◽

G.A. Adebayo

Keyword(s):

Thermoelectric Properties ◽

Heusler Alloy ◽

Full Heusler ◽

Alloy Systems

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Electronic structure and thermoelectric properties of (Mg2X)2 / (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices from first-principle calculations

The European Physical Journal B ◽

10.1140/epjb/e2016-60833-0 ◽

2016 ◽

Vol 89 (5) ◽

Cited By ~ 2

Author(s):

San-Dong Guo

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principle ◽

First Principle Calculations

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Using the Spin-Orbit Coupling for Studying the Structural, Elastic, Electronic, Ferromagnetic, and Thermoelectric Properties of the Ti2PdX (X = Al, Ga, and In) Full-Heusler Alloy Compounds

Acta Physica Polonica A ◽

10.12693/aphyspola.135.409 ◽

2019 ◽

Vol 135 (3) ◽

pp. 409-419

Author(s):

A. Boudali ◽

A. Mokaddem ◽

B. Doumi ◽

H. Moujri

Keyword(s):

Thermoelectric Properties ◽

Heusler Alloy ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Full Heusler

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Electronic structure and thermoelectric properties of Bi 2-x Sb x Te 3 (x = 0, 0.33, 0.67) by first principle calculation

Materials Today Proceedings ◽

10.1016/j.matpr.2018.02.081 ◽

2018 ◽

Vol 5 (6) ◽

pp. 14150-14154

Author(s):

S. Ruamruk ◽

K. Singsoog ◽

P. Pilasuta ◽

S. Paengson ◽

W. Namhongsa ◽

...

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation

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Electronic structure and phonon properties of Fe2ScAs full-Heusler alloy

10.1063/1.5113223 ◽

2019 ◽

Author(s):

Shivprasad S. Shastri ◽

Sudhir K. Pandey

Keyword(s):

Electronic Structure ◽

Heusler Alloy ◽

Full Heusler ◽

Phonon Properties

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Electronic structure, structural phase stability, optical and thermoelectric properties of Sr2AlM'O6 (M' = Nb and Ta) from first principle calculations

Computational Condensed Matter ◽

10.1016/j.cocom.2015.03.003 ◽

2015 ◽

Vol 4 ◽

pp. 13-22 ◽

Cited By ~ 6

Author(s):

Balasubramaniam Rameshe ◽

Mathrubutham Rajagopalan ◽

Balan Palanivel

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

Phase Stability ◽

Structural Phase ◽

First Principle ◽

First Principle Calculations

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Electronic structure and thermoelectric properties of full Heusler compounds Ca2YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb)

RSC Advances ◽

10.1039/d0ra04984k ◽

2020 ◽

Vol 10 (48) ◽

pp. 28501-28508

Author(s):

Yang Hu ◽

Yurong Jin ◽

Guangbiao Zhang ◽

Yuli Yan

Keyword(s):

Electronic Structure ◽

Transport Properties ◽

Thermoelectric Properties ◽

First Principles ◽

Transport Theory ◽

Combination Method ◽

Heusler Compounds ◽

Boltzmann Transport ◽

Boltzmann Transport Theory ◽

Full Heusler

We investigate the transport properties of bulk Ca2YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb) by a combination method of first-principles and Boltzmann transport theory.

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