[{"article_processing_charge":"No","volume":674,"quality_controlled":"1","date_created":"2023-12-10T23:00:56Z","article_number":"415539","publisher":"Elsevier","article_type":"original","status":"public","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"}],"month":"02","publication_identifier":{"issn":["0921-4526"]},"publication":"Physica B: Condensed Matter","scopus_import":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","issue":"2","isi":1,"language":[{"iso":"eng"}],"external_id":{"isi":["001127429000001"]},"date_updated":"2025-09-04T11:29:46Z","date_published":"2024-02-01T00:00:00Z","doi":"10.1016/j.physb.2023.415539","day":"01","year":"2024","citation":{"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, 2024. <a href=\"https://doi.org/10.1016/j.physb.2023.415539\">https://doi.org/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 (2024).","ista":"Gupta SL, Singh S, Kumar S, Anupam U, Thakur SS, Kumar A, Panwar S, Diwaker D. 2024. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. 674(2), 415539.","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, no. 2, 415539, Elsevier, 2024, doi:<a href=\"https://doi.org/10.1016/j.physb.2023.415539\">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>. 2024;674(2). doi:<a href=\"https://doi.org/10.1016/j.physb.2023.415539\">10.1016/j.physb.2023.415539</a>","apa":"Gupta, S. L., Singh, S., Kumar, S., Anupam, U., Thakur, S. S., Kumar, A., … Diwaker, D. (2024). 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>","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, no. 2. Elsevier, 2024."},"publication_status":"published","author":[{"full_name":"Gupta, Shyam Lal","first_name":"Shyam Lal","last_name":"Gupta"},{"first_name":"Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","last_name":"Singh","orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh"},{"first_name":"Sumit","last_name":"Kumar","full_name":"Kumar, Sumit"},{"first_name":"Unknown","last_name":"Anupam","full_name":"Anupam, Unknown"},{"full_name":"Thakur, Samjeet Singh","first_name":"Samjeet Singh","last_name":"Thakur"},{"full_name":"Kumar, Ashish","first_name":"Ashish","last_name":"Kumar"},{"last_name":"Panwar","first_name":"Sanjay","full_name":"Panwar, Sanjay"},{"full_name":"Diwaker, D.","last_name":"Diwaker","first_name":"D."}],"title":"Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys","_id":"14652","department":[{"_id":"MaIb"}],"intvolume":"       674","type":"journal_article","oa_version":"None"},{"publication_identifier":{"issn":["0921-4526"]},"publication":"Physica B: Condensed Matter","OA_type":"closed access","date_created":"2025-01-29T08:33:04Z","quality_controlled":"1","volume":685,"article_processing_charge":"No","article_type":"original","publisher":"Elsevier","article_number":"416018","month":"07","abstract":[{"text":"A detailed structural, magnetic as well as dielectric dynamics study is carried out to investigate the influence of Bi3+ on YCrO3. All the samples crystalize in orthorhombic structure with Pnma symmetry and the grains are mostly stretched with Bi. A coexisting tunable fraction of both antiferromagnetic (AFM) and weak ferromagnetic (WFM) phases is acquired by the system down to Low-T. An abnormal negative magnetization in zero field is correlated to the competition among AFM and WFM phases. Maximum magnetization decreases while the coercivity first increases and then decreases with Bi is correlated to the competing effect between the local deformation and Cr–O–Cr exchange interaction. The magnetodielectric coupling with improved permittivity might be associated with the 6s2 lone pair electron of Bi3+. Furthermore, ac-conductivity increases with a decrease in activation energy (0.27–0.11 eV), is explained in the framework of structural model and charge carrier hopping between Cr3+ and Cr4+ ions.","lang":"eng"}],"status":"public","title":"Tunable magnetoelectronic properties in Bi3+ substituted YCrO3","citation":{"ieee":"S. K. Ray <i>et al.</i>, “Tunable magnetoelectronic properties in Bi3+ substituted YCrO3,” <i>Physica B: Condensed Matter</i>, vol. 685. Elsevier, 2024.","apa":"Ray, S. K., Pati, A., Sahoo, P., Sahoo, A. K., Singh, S., Takeuchi, T., &#38; Dash, S. (2024). Tunable magnetoelectronic properties in Bi3+ substituted YCrO3. <i>Physica B: Condensed Matter</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.physb.2024.416018\">https://doi.org/10.1016/j.physb.2024.416018</a>","ama":"Ray SK, Pati A, Sahoo P, et al. Tunable magnetoelectronic properties in Bi3+ substituted YCrO3. <i>Physica B: Condensed Matter</i>. 2024;685. doi:<a href=\"https://doi.org/10.1016/j.physb.2024.416018\">10.1016/j.physb.2024.416018</a>","ista":"Ray SK, Pati A, Sahoo P, Sahoo AK, Singh S, Takeuchi T, Dash S. 2024. Tunable magnetoelectronic properties in Bi3+ substituted YCrO3. Physica B: Condensed Matter. 685, 416018.","chicago":"Ray, Sujata Kumari, Anupama Pati, Payala Sahoo, A.K. Sahoo, Saurabh Singh, Tsunehiro Takeuchi, and S. Dash. “Tunable Magnetoelectronic Properties in Bi3+ Substituted YCrO3.” <i>Physica B: Condensed Matter</i>. Elsevier, 2024. <a href=\"https://doi.org/10.1016/j.physb.2024.416018\">https://doi.org/10.1016/j.physb.2024.416018</a>.","short":"S.K. Ray, A. Pati, P. Sahoo, A.K. Sahoo, S. Singh, T. Takeuchi, S. Dash, Physica B: Condensed Matter 685 (2024).","mla":"Ray, Sujata Kumari, et al. “Tunable Magnetoelectronic Properties in Bi3+ Substituted YCrO3.” <i>Physica B: Condensed Matter</i>, vol. 685, 416018, Elsevier, 2024, doi:<a href=\"https://doi.org/10.1016/j.physb.2024.416018\">10.1016/j.physb.2024.416018</a>."},"publication_status":"published","author":[{"last_name":"Ray","first_name":"Sujata Kumari","full_name":"Ray, Sujata Kumari"},{"first_name":"Anupama","last_name":"Pati","full_name":"Pati, Anupama"},{"last_name":"Sahoo","first_name":"Payala","full_name":"Sahoo, Payala"},{"first_name":"A.K.","last_name":"Sahoo","full_name":"Sahoo, A.K."},{"orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","last_name":"Singh","first_name":"Saurabh"},{"last_name":"Takeuchi","first_name":"Tsunehiro","full_name":"Takeuchi, Tsunehiro"},{"first_name":"S.","last_name":"Dash","full_name":"Dash, S."}],"department":[{"_id":"MaIb"}],"intvolume":"       685","_id":"18937","oa_version":"None","type":"journal_article","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","language":[{"iso":"eng"}],"acknowledgement":"The authors would like to acknowledge MHRD, Government of India for financial support. The author is also thankful to RRCAT, Indore for providing XPS beamline-14 of Indus II to conduct experimental work.","date_updated":"2025-01-29T08:37:14Z","date_published":"2024-07-15T00:00:00Z","day":"15","year":"2024","doi":"10.1016/j.physb.2024.416018"},{"date_created":"2021-02-02T15:52:43Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","volume":536,"article_processing_charge":"No","language":[{"iso":"eng"}],"article_type":"original","publisher":"Elsevier","date_updated":"2021-02-04T07:18:57Z","date_published":"2018-05-01T00:00:00Z","page":"235-238","day":"01","month":"05","year":"2018","doi":"10.1016/j.physb.2017.11.032","abstract":[{"lang":"eng","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."}],"status":"public","extern":"1","title":"Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se","citation":{"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>.","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.","short":"T. Hussain, M. Oh, M. Nauman, Y. Jo, G. Han, C. Kim, W. Kang, Physica B: Condensed Matter 536 (2018) 235–238.","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>.","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.","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>","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>"},"author":[{"first_name":"Tayyaba","last_name":"Hussain","full_name":"Hussain, Tayyaba"},{"full_name":"Oh, Myeong-jun","last_name":"Oh","first_name":"Myeong-jun"},{"id":"32c21954-2022-11eb-9d5f-af9f93c24e71","last_name":"Nauman","first_name":"Muhammad","orcid":"0000-0002-2111-4846","full_name":"Nauman, Muhammad"},{"last_name":"Jo","first_name":"Younjung","full_name":"Jo, Younjung"},{"first_name":"Garam","last_name":"Han","full_name":"Han, Garam"},{"last_name":"Kim","first_name":"Changyoung","full_name":"Kim, Changyoung"},{"full_name":"Kang, Woun","first_name":"Woun","last_name":"Kang"}],"publication_status":"published","intvolume":"       536","_id":"9068","publication_identifier":{"issn":["0921-4526"]},"oa_version":"None","type":"journal_article","publication":"Physica B: Condensed Matter"}]