---
_id: '14652'
abstract:
- lang: eng
  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.
article_number: '415539'
article_processing_charge: No
article_type: original
author:
- first_name: Shyam Lal
  full_name: Gupta, Shyam Lal
  last_name: Gupta
- first_name: Saurabh
  full_name: Singh, Saurabh
  id: 12d625da-9cb3-11ed-9667-af09d37d3f0a
  last_name: Singh
  orcid: 0000-0003-2209-5269
- first_name: Sumit
  full_name: Kumar, Sumit
  last_name: Kumar
- first_name: Unknown
  full_name: Anupam, Unknown
  last_name: Anupam
- first_name: Samjeet Singh
  full_name: Thakur, Samjeet Singh
  last_name: Thakur
- first_name: Ashish
  full_name: Kumar, Ashish
  last_name: Kumar
- first_name: Sanjay
  full_name: Panwar, Sanjay
  last_name: Panwar
- first_name: D.
  full_name: Diwaker, D.
  last_name: Diwaker
citation:
  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>'
  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>.'
  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.'
  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>.'
  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).'
date_created: 2023-12-10T23:00:56Z
date_published: 2024-02-01T00:00:00Z
date_updated: 2025-09-04T11:29:46Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.physb.2023.415539
external_id:
  isi:
  - '001127429000001'
intvolume: '       674'
isi: 1
issue: '2'
language:
- iso: eng
month: '02'
oa_version: None
publication: 'Physica B: Condensed Matter'
publication_identifier:
  issn:
  - 0921-4526
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Ab-initio stability of Iridium based newly proposed full and quaternary heusler
  alloys
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 674
year: '2024'
...
---
OA_type: closed access
_id: '18937'
abstract:
- lang: eng
  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.
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.
article_number: '416018'
article_processing_charge: No
article_type: original
author:
- first_name: Sujata Kumari
  full_name: Ray, Sujata Kumari
  last_name: Ray
- first_name: Anupama
  full_name: Pati, Anupama
  last_name: Pati
- first_name: Payala
  full_name: Sahoo, Payala
  last_name: Sahoo
- first_name: A.K.
  full_name: Sahoo, A.K.
  last_name: Sahoo
- first_name: Saurabh
  full_name: Singh, Saurabh
  id: 12d625da-9cb3-11ed-9667-af09d37d3f0a
  last_name: Singh
  orcid: 0000-0003-2209-5269
- first_name: Tsunehiro
  full_name: Takeuchi, Tsunehiro
  last_name: Takeuchi
- first_name: S.
  full_name: Dash, S.
  last_name: Dash
citation:
  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>'
  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>'
  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>.'
  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.'
  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.'
  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>.'
  short: 'S.K. Ray, A. Pati, P. Sahoo, A.K. Sahoo, S. Singh, T. Takeuchi, S. Dash,
    Physica B: Condensed Matter 685 (2024).'
date_created: 2025-01-29T08:33:04Z
date_published: 2024-07-15T00:00:00Z
date_updated: 2025-01-29T08:37:14Z
day: '15'
department:
- _id: MaIb
doi: 10.1016/j.physb.2024.416018
intvolume: '       685'
language:
- iso: eng
month: '07'
oa_version: None
publication: 'Physica B: Condensed Matter'
publication_identifier:
  issn:
  - 0921-4526
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Tunable magnetoelectronic properties in Bi3+ substituted YCrO3
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 685
year: '2024'
...
---
_id: '9068'
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.
article_processing_charge: No
article_type: original
author:
- first_name: Tayyaba
  full_name: Hussain, Tayyaba
  last_name: Hussain
- first_name: Myeong-jun
  full_name: Oh, Myeong-jun
  last_name: Oh
- first_name: Muhammad
  full_name: Nauman, Muhammad
  id: 32c21954-2022-11eb-9d5f-af9f93c24e71
  last_name: Nauman
  orcid: 0000-0002-2111-4846
- first_name: Younjung
  full_name: Jo, Younjung
  last_name: Jo
- first_name: Garam
  full_name: Han, Garam
  last_name: Han
- first_name: Changyoung
  full_name: Kim, Changyoung
  last_name: Kim
- first_name: Woun
  full_name: Kang, Woun
  last_name: Kang
citation:
  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>'
  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.'
  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.'
date_created: 2021-02-02T15:52:43Z
date_published: 2018-05-01T00:00:00Z
date_updated: 2021-02-04T07:18:57Z
day: '01'
doi: 10.1016/j.physb.2017.11.032
extern: '1'
intvolume: '       536'
language:
- iso: eng
month: '05'
oa_version: None
page: 235-238
publication: 'Physica B: Condensed Matter'
publication_identifier:
  issn:
  - 0921-4526
publication_status: published
publisher: Elsevier
quality_controlled: '1'
status: public
title: Pressure-induced metal–insulator transitions in chalcogenide NiS2-Se
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 536
year: '2018'
...