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RESEARCH PAPER · Journal of Alloys and Compounds · 2018

Thermoelectric and optical properties of half-Heusler compound TaCoSn: A first-principle study

Junhong Wei, Guangtao Wang

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Thermoelectric and optical properties of half-Heusler compound TaCoSn: A first-principle studyOriginalEffect of transition metal (TM: Cr and Mn) doping on charge transport properties of ScNiBi: a density functional theory approach2Structural and thermoelectric properties of Zr-doped TiPdSn half-Heusler compound by first-principles calculations23Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study3Thermoelectric and Piezoelectric Properties in Half-Heusler Compounds TaXSn (X = Co, Rh and Ir) Based on Ab Initio Calculations29First principles study on interface optimization mechanism of Cu-Al composite plate and strip by vibration cast-rolling technology5Assessing the structural, electronic, elastic and thermoelectric properties of PtTiSn and PdLaBi transition metal alloys from the first-principles prospective13Investigation of Electronic and Thermoelectric Properties of Bulk and [001] Thin Film Structures of Half-Heusler Compound TiNiSn: A DFT Study6Theoretical investigation of ternary semiconductors half-Heusler RhTaZ (Z = Si, Ge and Sn) for thermoelectric applications10First-Principles Calculations of Structural, Electronic, Optical, and Thermoelectric Properties of LuNiBi and LuNiSb Half-Heusler21Optical and Thermodynamic Properties of Half-Heusler Compound TaIrSn: Using Modified Becke-Johnson (mBJ)9Thermoelectric and optical properties of 2D hexagonal Dirac material Be3X2 (X = C, Si, Ge, Sn): A density functional theory study13Analysis of ternary AlGaX 2 (X = As, Sb) compounds for opto-electronic and renewable energy devices using density functional theory39Thermoelectric Properties and High Degree of Plastic Deformation in Zrrhbi Heusler Alloys0First-principles study of the structural, electronic, optical, and thermoelectric properties of the RhVZ (Z= Si, Ge, Sn)9Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration30First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure6Design of Heusler Alloys from Co, Ta, and Sn Atoms within Ab Initio Study of Their Wyckoff Positions for Thermoelectric Applications1Insight into the structural, optoelectronic, and thermoelectric properties of Fe 2 HfSi Heusler by DFT investigation21Optoelectronic properties of RuCrX (X = Si, Sn, Ge) Half Heusler alloys: a DFT study10An ab-initio study of P-type ZrCoY (YSb and Bi) half – Heusler semiconductors8Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications10DFT study of RhTiP half Heusler semiconductor: Revealing its mechanical, optoelectronic, and thermoelectric properties34Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications0Structural, vibrational and magneto-electronic investigation of ruthenium based half heusler alloys: quantum-computational analysis2DFT Studies on Electronic, Elastic, Thermoelectric and Optical Properties of New Half-Heusler XRhZ (X = V, Nb and Z = Si, Ge) Semiconductors19Pressure effects on the structural, electronic, elastic, optical, and vibrational properties of YMg intermetallic compounds: a first-principles study5Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler alloys34Electronic, optical and thermoelectric behavior of KCuX (X = S, Se, Te) monolayers2Investigating the electronic structure, elastic, optical, and thermoelectric nature of novel AsIrX (X = S, Se, Te) ternary chalcogenides3First‐Principles Calculations to Investigate Structural, Electronic, Mechanical, Optical, and Magnetic Properties of RhNbSb Half‐Heusler Compound3Structural, electronic, mechanical, optical and magnetic properties of RhNbZ (Z = Li, Si, As) Half-Heusler compounds: a first-principles study7Unveiling the Thermoelectric Properties of Some Bismuth Based Half Heuslers: A First‐Principles Perspective2Exploring the Electronic, Thermoelectric, and Optical Properties of AsRhX (X = S, Se, Te) Materials for Energy Conversion Applications1Scandium-based comprehensive study of new ScTiRuAl quaternary Heusler alloy: insights into solar and thermoelectric energy applications0

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  1. Effect of transition metal (TM: Cr and Mn) doping on charge transport properties of ScNiBi: a density functional theory approach

    Materials Research Express · 2019-01-24

    Amreen Bano, N. K. S. Gaur

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  2. Structural and thermoelectric properties of Zr-doped TiPdSn half-Heusler compound by first-principles calculations

    Chemical Physics Letters · 2020-01-10

    Wendan Zheng, Yong Lai Lu, Yunsheng Li, Jiahua Wang, Zhi‐Ling Hou, Xiaohong Shao

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  3. Exploring electronic, optoelectronic, and thermoelectric properties of ternary compound MgSrSe2 from first-principles study

    AIP Advances · 2020-04-01

    Qian Wang, Ziyu Hu, Xiaohong Shao

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  4. Thermoelectric and Piezoelectric Properties in Half-Heusler Compounds TaXSn (X = Co, Rh and Ir) Based on Ab Initio Calculations

    International Journal of Thermophysics · 2020-10-27

    Z. A. A. R. Almaghbash, Omar Arbouche, Ameur Dahani, Abdelhamid Cherifi, M. Belabbas, Abdeldjelil Amara Zenati, Hanifi Mebarki, A. Hussain

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  5. First principles study on interface optimization mechanism of Cu-Al composite plate and strip by vibration cast-rolling technology

    Composite Interfaces · 2021-01-11

    Lingxiao Li, Yuhao Wang, Minghan Sun, Fengshan Du

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  6. Assessing the structural, electronic, elastic and thermoelectric properties of PtTiSn and PdLaBi transition metal alloys from the first-principles prospective

    Materials Science in Semiconductor Processing · 2021-03-09

    Paul O. Adebambo, Ridwan O. Agbaoye, Muyiwa Kehinde Bamgbose, Funmilayo Ayedun, G.T. Solola, G.A. Adebayo

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  7. Investigation of Electronic and Thermoelectric Properties of Bulk and [001] Thin Film Structures of Half-Heusler Compound TiNiSn: A DFT Study

    International Journal of Thermophysics · 2021-03-29

    N. Salimi, Arash Boochani, Seyed Mohammad Elahi, Z. Ghoran Nevis

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  8. Theoretical investigation of ternary semiconductors half-Heusler RhTaZ (Z = Si, Ge and Sn) for thermoelectric applications

    Modern Physics Letters B · 2021-07-16

    Mohammed Amine Boudjeltia, Zoubir Aziz, Sabria Terkhi, Mohammed Abderrahim Bennani, Shakeel Ahmad Khandy, Bouabdellah Bouadjemi, Mansour Benidris, Samir BENTATA

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  9. First-Principles Calculations of Structural, Electronic, Optical, and Thermoelectric Properties of LuNiBi and LuNiSb Half-Heusler

    Journal of Superconductivity and Novel Magnetism · 2021-07-20

    Amina Touia, Karima Benyahia, Adem Tekin

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  10. Optical and Thermodynamic Properties of Half-Heusler Compound TaIrSn: Using Modified Becke-Johnson (mBJ)

    Journal of Superconductivity and Novel Magnetism · 2021-08-03

    Amina Touia, Maroua Benkhaled, Chaima Khobzaoui, Meriem Fodil

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  11. Thermoelectric and optical properties of 2D hexagonal Dirac material Be3X2 (X = C, Si, Ge, Sn): A density functional theory study

    Journal of Applied Physics · 2021-08-06

    Subhadip Nath

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  12. Analysis of ternary AlGaX 2 (X = As, Sb) compounds for opto-electronic and renewable energy devices using density functional theory

    Physica Scripta · 2021-08-23

    Muhammad Waqas Iqbal, Mazia Asghar, Naveed Ahmad Noor, Hamid Ullah, Tausif Zahid, Sikandir Aftab, Asif Mahmood

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  13. Thermoelectric Properties and High Degree of Plastic Deformation in Zrrhbi Heusler Alloys

    SSRN Electronic Journal · 2022-01-01

    Bamidele Ibrahim Adetunji, Paul O. Adebambo, Winfred Mueni Mulwa, Funmilayo Ayedun, G.A. Adebayo

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  14. First-principles study of the structural, electronic, optical, and thermoelectric properties of the RhVZ (Z= Si, Ge, Sn)

    Micro and Nanostructures · 2022-01-22

    Abir Bouchrit, Hassan Ahmoum, Jamal EL. Khamkhami, Guojian Li, T. El Bardouni, El Hassan El Harouny, Abdelfatah Achahbar

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  15. Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration

    Materials Today Physics · 2022-05-06

    Hongmei Yuan, Shulin Han, Rui Hu, Wen-Na Jiao, Mengke Li, Huijun Liu, Ying Fang

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  16. First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure

    Crystals · 2022-10-17

    Junhong Wei, Yongliang Guo, Guangtao Wang

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  17. Design of Heusler Alloys from Co, Ta, and Sn Atoms within Ab Initio Study of Their Wyckoff Positions for Thermoelectric Applications

    SSRN Electronic Journal · 2023-01-01

    ALAN Antônio das Graças SANTOS, Pablo D. Borges

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  18. Insight into the structural, optoelectronic, and thermoelectric properties of Fe 2 HfSi Heusler by DFT investigation

    RSC Advances · 2023-01-01

    Abida Azam, Ramesh Sharma, Debidatta Behera, Hafiz Hamid Raza, Hafiz Saad Ali, Shaimaa A. M. Abdelmohsen, Ashraf M. M. Abdelbacki, Sanat Kumar Mukherjee

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  19. Optoelectronic properties of RuCrX (X = Si, Sn, Ge) Half Heusler alloys: a DFT study

    Physica Scripta · 2023-03-31

    Syed Tauseef Hussain Shah, Ahmed M Almalki, Sadia Sagar, Ghulam Mustafa, Ali Bahadar, Nazia Hossain

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  20. An ab-initio study of P-type ZrCoY (YSb and Bi) half – Heusler semiconductors

    Heliyon · 2023-07-25

    Lynet Allan, Winfred Mueni Mulwa, Julius Mwakondo Mwabora, Robinson Juma Musembi, Refilwe Edwin Mapasha

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  21. Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications

    Computational and Theoretical Chemistry · 2023-08-30

    Alan A.G. Santos, Pablo D. Borges

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  22. DFT study of RhTiP half Heusler semiconductor: Revealing its mechanical, optoelectronic, and thermoelectric properties

    Physica B Condensed Matter · 2023-11-03

    Shubha Dubey, Jisha Annie Abraham, K. S. Dubey, Vineet Sahu, Anchit Modi, Gitanjali Pagare, N. K. S. Gaur

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  23. Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications

    Unknown journal · 2023-11-07

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  24. Structural, vibrational and magneto-electronic investigation of ruthenium based half heusler alloys: quantum-computational analysis

    Indian Journal of Physics · 2023-11-09

    Nazia Iram, Zubair Ahmad, Mohammad K. Okla

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  25. DFT Studies on Electronic, Elastic, Thermoelectric and Optical Properties of New Half-Heusler XRhZ (X = V, Nb and Z = Si, Ge) Semiconductors

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  26. Pressure effects on the structural, electronic, elastic, optical, and vibrational properties of YMg intermetallic compounds: a first-principles study

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  27. Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler alloys

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  28. Electronic, optical and thermoelectric behavior of KCuX (X = S, Se, Te) monolayers

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  29. Investigating the electronic structure, elastic, optical, and thermoelectric nature of novel AsIrX (X = S, Se, Te) ternary chalcogenides

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  30. First‐Principles Calculations to Investigate Structural, Electronic, Mechanical, Optical, and Magnetic Properties of RhNbSb Half‐Heusler Compound

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  31. Structural, electronic, mechanical, optical and magnetic properties of RhNbZ (Z = Li, Si, As) Half-Heusler compounds: a first-principles study

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  32. Unveiling the Thermoelectric Properties of Some Bismuth Based Half Heuslers: A First‐Principles Perspective

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  33. Exploring the Electronic, Thermoelectric, and Optical Properties of AsRhX (X = S, Se, Te) Materials for Energy Conversion Applications

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  34. Scandium-based comprehensive study of new ScTiRuAl quaternary Heusler alloy: insights into solar and thermoelectric energy applications

    Indian Journal of Physics · 2026-04-06

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