Robust thermoelectric performance and high spin polarisation in CoMnTiAl and FeMnTiAl compounds

Bhat, Tahir Mohiuddin

doi:10.1039/c6ra18934b

Cited by 114 publications

(46 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Further, these C ij 's are put under certain mathematical relations to determine the key parameters such as bulk ( B ), shear ( G ), Young's ( Y ) moduli, Poisson's ratio ( σ ), and so forth. The existence of a given crystal structure is not possible in a stable or metastable state unless its elastic constants obey the below mentioned generalized mechanical stability criteria

true(C_{11} - C_{12} true) > 0, C_{11} > 0, C_{44} > 0, C_{12} < B < C_{11}, true(C_{11} + 2 C_{12} true) > 0

…”

Section: Resultsmentioning

confidence: 99%

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO₃ from high‐throughput DFT calculations

Khandy

Gupta

2017

Int J of Quantum Chemistry

Self Cite

View full text Add to dashboard Cite

Successfully optimized calculations for the stability of SnAlO3 perovskite in its paramagnetic phase and various structural parameters have been figured out in this study. Structural stability and ductile character is reflected from the calculated elastic constants and mechanical properties. Moreover, the melting temperature of the present material has also been calculated. We have discussed in detail, the ground state electronic band structure and paramagnetic character. In addition, the Boltzmann's transport theory has been employed to obtain the Seebeck, electrical and thermal conductivity coefficients so as to manifest the thermoelectric response of the material. Remarkably, the observed high electrical conductivity in inclusion of metallicity and paramagnetic nature is a characteristic of perovskite type electrode materials. The above discussed material properties suggest the possible application of this compound as an efficient electrode material.

show abstract

true(C_{11} - C_{12} true) > 0, C_{11} > 0, C_{44} > 0, C_{12} < B < C_{11}, true(C_{11} + 2 C_{12} true) > 0

…”

Section: Resultsmentioning

confidence: 99%

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO₃ from high‐throughput DFT calculations

Khandy

Gupta

2017

Int J of Quantum Chemistry

Self Cite

View full text Add to dashboard Cite

show abstract

“…18 On the other hand, the thermoelectric coolers are based on Peltier effect, which is just reverse of Seebeck effect; thermoelectric coolers are used for cooling of electronic devices, automobile cooling, personnel cooling, and refrigeration. Thermoelectric materials are becoming alternate sources of energy, and the applications of these materials are growing rapidly.…”

Section: Thermoelectric Propertiesmentioning

confidence: 99%

“…[2][3][4][5][6][7] These materials are thus suggested to produce the efficiency of magneto-electronic devices. [17][18][19][20] The QHA found applications in spin-dependent devices such as spin filters, spin valves, and thermoelectric technology. [8][9][10][11][12] Among the reported half-metallic alloys, Heusler alloys are most attractive due to their high curie temperature (T C ) and their structure similarity to that of zinc blend and rock salt.…”

Section: Introductionmentioning

confidence: 99%

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Seh

Gupta

2019

Int J Energy Res

Self Cite

View full text Add to dashboard Cite

Summary The half‐metallic character of new quaternary Heusler alloys CoXMnAs (X = Ru, Rh) is established along with their thermoelectric, mechanical, and thermodynamic properties. The optimization of energy suggests that alloys are stable in Y2‐type structure with a ferromagnetic character. The electronic band profile through generalized gradient approximation and modified Becke‐Johnson potential indicates the metallic character of alloys. However, with inclusion of Hubbard potential to generalized gradient approximation, the alloys depict half‐metallic character with semiconducting nature in spin‐down state. The alloys possess high magnetic moment, CoRuMnAs has 5 μB, whereas CoRhMnAs has 6 μB, following Slater‐Pauling rule MT = ZT − 24. The narrow band gap in spin‐down channel enhances the thermoelectric properties. The maximum value for thermopower (|S|) obtained is 44.3 and 53.44 μV/K for CoRuMnAs and CoRhMnAs, respectively. The variation of electrical conductivity, Seebeck coefficient, and figure of merit affirm increasing trend with temperature, which is a good indication of materials to be used in thermoelectric technology. The mechanical stability along with ductile nature of alloys is determined through elastic constants. Further, we have calculated thermodynamic properties and have established their dependence on temperature and pressure using quasi‐harmonic Debye model. The half‐metallic nature with efficient thermoelectric parameters strongly supports the possible application of alloys for spin devices and green energy generation.

show abstract

“…В последние годы набирает популярность концепция " многофункциональных" материалов, т. е. материалов, которые демонстрируют сразу несколько эффектов прак-тической значимости. В этом контексте следует упомя-нуть магнитоупорядоченные сплавы Гейслера Fe 2 MnZ, для которых теоретически предсказаны как привлека-тельные термоэлектрические свойства [28,29], так и нетривиальные магнитотранспортные свойства, обуслов-ленные особенностями строения электронной структу-ры [30,31]. Отметим, что в то время как теоретические предсказания существенных величин ZT в сплавах Гей-слера все еще ждут экспериментальных подтверждений, исследования халькопиритов CuFeS 2 показали, что эти магнитные полупроводники действительно представля-ют интерес для дальнейшего изучения с точки зрения термоэлектрических свойств [32,33].…”

Section: международная конференция " термоэлектрики и их применениunclassified

Полупроводниковые сплавы Гейслера на основе Fe

Ховайло¹,

Воронин²,

Зуева³

et al. 2017

Физика И Техника Полупроводников

View full text Add to dashboard Cite

Дан краткий обзор по современному состоянию исследований полупроводниковых сплавов Гейслера на основе Fe. Наиболее значимым достижением в этой области является повышение термоэлектрической добротности до ZT > 1 в соединениях p-типа проводимости на основе Fe(V,Nb)Sb. Наряду с этим соединением растущее внимание уделялось в последние годы исследованию перспективных термоэлектри-ческих материалов на основе сплавов Гейслера Fe 2 TiZ (Z = Al, Si, Sn) и изучению многофункциональных соединений Fe 2 MnZ (Z = Al, Si), которые могут представлять интерес и как термоэлектрические материалы, и как магнитные полупроводники с высокой температурой Кюри.

show abstract

Robust thermoelectric performance and high spin polarisation in CoMnTiAl and FeMnTiAl compounds

Abstract: New quaternary Heusler materials, CoMnTiAl and FeMnTiAl, have been investigated.

Cited by 114 publications

References 33 publications

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO₃ from high‐throughput DFT calculations

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO₃ from high‐throughput DFT calculations

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Полупроводниковые сплавы Гейслера на основе Fe

Contact Info

Product

Resources

About

Robust thermoelectric performance and high spin polarisation in CoMnTiAl and FeMnTiAl compounds

Abstract: New quaternary Heusler materials, CoMnTiAl and FeMnTiAl, have been investigated.

Cited by 114 publications

References 33 publications

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO3 from high‐throughput DFT calculations

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO3 from high‐throughput DFT calculations

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

Полупроводниковые сплавы Гейслера на основе Fe

Contact Info

Product

Resources

About

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO₃ from high‐throughput DFT calculations

Investigation of structural, magneto‐electronic, and thermoelectric response of ductile SnAlO₃ from high‐throughput DFT calculations