[{"intvolume":"       674","article_number":"415539","title":"Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys","month":"11","department":[{"_id":"MaIb"}],"date_created":"2023-12-10T23:00:56Z","article_processing_charge":"No","oa_version":"None","publication_status":"epub_ahead","author":[{"full_name":"Gupta, Shyam Lal","last_name":"Gupta","first_name":"Shyam Lal"},{"full_name":"Singh, Saurabh","orcid":"0000-0003-2209-5269","last_name":"Singh","first_name":"Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a"},{"last_name":"Kumar","first_name":"Sumit","full_name":"Kumar, Sumit"},{"full_name":"Anupam, Unknown","last_name":"Anupam","first_name":"Unknown"},{"full_name":"Thakur, Samjeet Singh","first_name":"Samjeet Singh","last_name":"Thakur"},{"full_name":"Kumar, Ashish","last_name":"Kumar","first_name":"Ashish"},{"first_name":"Sanjay","last_name":"Panwar","full_name":"Panwar, Sanjay"},{"first_name":"D.","last_name":"Diwaker","full_name":"Diwaker, D."}],"scopus_import":"1","publication":"Physica B: Condensed Matter","_id":"14652","article_type":"original","publisher":"Elsevier","language":[{"iso":"eng"}],"quality_controlled":"1","abstract":[{"text":"In order to demonstrate the stability of newly proposed iridium-based Ir2Cr(In,Sn) and IrRhCr(In,Sn) heusler alloys, we present ab-initio analysis of these alloys by examining various properties to prove their stability. The stability of these alloys can be inferred from different cohesive and formation energies as well as positive phonon frequencies. Their electronic structure results indicate that they are semi-metals in nature. The magnetic moments are computed using the Slater-Pauling formula and exhibit a high value, with the Cr atom contributing the most in all alloys. Mulliken’s charge analysis results show that our alloys contain a range of linkages, mainly ionic and covalent ones. The ductility and mechanical stability of these alloys are confirmed by elastic constants viz. Poisson’s ratio, Pugh’s ratio, and many different types of elastic moduli.","lang":"eng"}],"day":"28","publication_identifier":{"issn":["0921-4526"]},"doi":"10.1016/j.physb.2023.415539","type":"journal_article","date_published":"2023-11-28T00:00:00Z","citation":{"mla":"Gupta, Shyam Lal, et al. “Ab-Initio Stability of Iridium Based Newly Proposed Full and Quaternary Heusler Alloys.” <i>Physica B: Condensed Matter</i>, vol. 674, 415539, Elsevier, 2023, doi:<a href=\"https://doi.org/10.1016/j.physb.2023.415539\">10.1016/j.physb.2023.415539</a>.","short":"S.L. Gupta, S. Singh, S. Kumar, U. Anupam, S.S. Thakur, A. Kumar, S. Panwar, D. Diwaker, Physica B: Condensed Matter 674 (2023).","ista":"Gupta SL, Singh S, Kumar S, Anupam U, Thakur SS, Kumar A, Panwar S, Diwaker D. 2023. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. 674, 415539.","apa":"Gupta, S. L., Singh, S., Kumar, S., Anupam, U., Thakur, S. S., Kumar, A., … Diwaker, D. (2023). Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. <i>Physica B: Condensed Matter</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.physb.2023.415539\">https://doi.org/10.1016/j.physb.2023.415539</a>","ama":"Gupta SL, Singh S, Kumar S, et al. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. <i>Physica B: Condensed Matter</i>. 2023;674. doi:<a href=\"https://doi.org/10.1016/j.physb.2023.415539\">10.1016/j.physb.2023.415539</a>","chicago":"Gupta, Shyam Lal, Saurabh Singh, Sumit Kumar, Unknown Anupam, Samjeet Singh Thakur, Ashish Kumar, Sanjay Panwar, and D. Diwaker. “Ab-Initio Stability of Iridium Based Newly Proposed Full and Quaternary Heusler Alloys.” <i>Physica B: Condensed Matter</i>. Elsevier, 2023. <a href=\"https://doi.org/10.1016/j.physb.2023.415539\">https://doi.org/10.1016/j.physb.2023.415539</a>.","ieee":"S. L. Gupta <i>et al.</i>, “Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys,” <i>Physica B: Condensed Matter</i>, vol. 674. Elsevier, 2023."},"year":"2023","date_updated":"2023-12-12T08:22:23Z","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":674},{"volume":536,"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","extern":"1","citation":{"ista":"Hussain T, Oh M, Nauman M, Jo Y, Han G, Kim C, Kang W. 2018. Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se. Physica B: Condensed Matter. 536, 235–238.","mla":"Hussain, Tayyaba, et al. “Pressure-Induced Metal–Insulator Transitions in Chalcogenide NiS2-Se.” <i>Physica B: Condensed Matter</i>, vol. 536, Elsevier, 2018, pp. 235–38, doi:<a href=\"https://doi.org/10.1016/j.physb.2017.11.032\">10.1016/j.physb.2017.11.032</a>.","short":"T. Hussain, M. Oh, M. Nauman, Y. Jo, G. Han, C. Kim, W. Kang, Physica B: Condensed Matter 536 (2018) 235–238.","ieee":"T. Hussain <i>et al.</i>, “Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se,” <i>Physica B: Condensed Matter</i>, vol. 536. Elsevier, pp. 235–238, 2018.","chicago":"Hussain, Tayyaba, Myeong-jun Oh, Muhammad Nauman, Younjung Jo, Garam Han, Changyoung Kim, and Woun Kang. “Pressure-Induced Metal–Insulator Transitions in Chalcogenide NiS2-Se.” <i>Physica B: Condensed Matter</i>. Elsevier, 2018. <a href=\"https://doi.org/10.1016/j.physb.2017.11.032\">https://doi.org/10.1016/j.physb.2017.11.032</a>.","ama":"Hussain T, Oh M, Nauman M, et al. Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se. <i>Physica B: Condensed Matter</i>. 2018;536:235-238. doi:<a href=\"https://doi.org/10.1016/j.physb.2017.11.032\">10.1016/j.physb.2017.11.032</a>","apa":"Hussain, T., Oh, M., Nauman, M., Jo, Y., Han, G., Kim, C., &#38; Kang, W. (2018). Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se. <i>Physica B: Condensed Matter</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.physb.2017.11.032\">https://doi.org/10.1016/j.physb.2017.11.032</a>"},"year":"2018","date_updated":"2021-02-04T07:18:57Z","type":"journal_article","date_published":"2018-05-01T00:00:00Z","publication_identifier":{"issn":["0921-4526"]},"day":"01","doi":"10.1016/j.physb.2017.11.032","abstract":[{"text":"We report the temperature-dependent resistivity ρ(T) of chalcogenide NiS2-xSex (x = 0.1) using hydrostatic pressure as a control parameter in the temperature range of 4–300 K. The insulating behavior of ρ(T) survives at low temperatures in the pressure regime below 7.5 kbar, whereas a clear insulator-to-metallic transition is observed above 7.5 kbar. Two types of magnetic transitions, from the paramagnetic (PM) to the antiferromagnetic (AFM) state and from the AFM state to the weak ferromagnetic (WF) state, were evaluated and confirmed by magnetization measurement. According to the temperature–pressure phase diagram, the WF phase survives up to 7.5 kbar, and the transition temperature of the WF transition decreases as the pressure increases, whereas the metal–insulator transition temperature increases up to 9.4 kbar. We analyzed the metallic behavior and proposed Fermi-liquid behavior of NiS1.9Se0.1.","lang":"eng"}],"quality_controlled":"1","page":"235-238","language":[{"iso":"eng"}],"publisher":"Elsevier","article_type":"original","_id":"9068","publication":"Physica B: Condensed Matter","author":[{"first_name":"Tayyaba","last_name":"Hussain","full_name":"Hussain, Tayyaba"},{"full_name":"Oh, Myeong-jun","last_name":"Oh","first_name":"Myeong-jun"},{"full_name":"Nauman, Muhammad","orcid":"0000-0002-2111-4846","last_name":"Nauman","first_name":"Muhammad","id":"32c21954-2022-11eb-9d5f-af9f93c24e71"},{"full_name":"Jo, Younjung","last_name":"Jo","first_name":"Younjung"},{"first_name":"Garam","last_name":"Han","full_name":"Han, Garam"},{"first_name":"Changyoung","last_name":"Kim","full_name":"Kim, Changyoung"},{"first_name":"Woun","last_name":"Kang","full_name":"Kang, Woun"}],"date_created":"2021-02-02T15:52:43Z","article_processing_charge":"No","publication_status":"published","oa_version":"None","intvolume":"       536","month":"05","title":"Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se"}]