Skip to main content
Fachgebiete
Automobil + Motoren Bauwesen + Immobilien Business IT + Informatik Elektrotechnik + Elektronik Energie + Nachhaltigkeit Finance + Banking Management + Führung Marketing + Vertrieb Maschinenbau + Werkstoffe Versicherung + Risiko
DE
EN
Themenseiten
Organisationspsychologie Projektmanagement Marketing Smart Manufacturing
Bücher
Zeitschriften
Weitere Formate
Podcasts Webinare Technik Webinare Wirtschaft Kongresse Veranstaltungskalender Awards
Jetzt Einzelzugang starten
Zugang für Unternehmen
Referenzkunden
MTZ-Fachkongress

Antriebe und Energiesysteme von morgen


Austausch von Automobil- und Energiewirtschaft

Am 14./15. Mai geht es in Chemnitz um die Mobilitätswende durch Elektro- und Wasserstofffahrzeuge.
Erweiterte Suche
Anmelden
nach oben
Optical and Quantum Electronics
Erschienen in: Optical and Quantum Electronics 3/2024

01.03.2024

Exploring the physical properties of Co2MnSi full Heusler alloy: a first principles study

verfasst von: Arvind Kumar, Neelabh Srivastava, Vikrant Chaudhary, Anadi Krishna Atul, Swati Jharwal, Amit Singh Negi, Brijmohan Prajapati, Rishi P. Singh, Manish Kumar, Jitesh Kumar

Erschienen in: Optical and Quantum Electronics | Ausgabe 3/2024

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

Half-metallic ferromagnetic Heusler alloys attracted much attention in the last few decades due to their significant physical properties as well as its potential applications in spintronic devices. To explore and predict the various physical properties of Co-based Heusler alloy, Co2MnSi (CMS), First principles calculations are of interest and has been used in the present study. Optimized E–V curves represent that CMS alloy is most stable in its magnetic L21 structural phase. The electronic charge density plot represents the ionic bonding along with co-valent character for the compound. DOS and BS calculations shows 100% spin polarization at Fermi level (EF) which confirms the half metallic character of the compound. DOS exhibited the prominent role of Co-3d and Mn-3d electronic states along with Si-2p electronic states. Estimated magnetic moment of Co2MnSi Heusler alloy was found to be ~ 5μB per f. u. which is in line with the Slater-Pauling behaviour. Dynamical stability of Co2MnSi Heusler alloy has also been verified by the phonon dispersion curves which revealed that compound is dynamically stable. Additionally, the physical properties have also been explored as a consequence of SOC and significant changes in electronic and optical properties were observed. The observed significant results of electronic, magnetic, and optical properties of CMS Heusler alloy makes it promising towards potential application in optical and spintronic devices.
Vorheriger Artikel Photo-induced single-electron tunnelling based Coulomb staircase effect observed at high applied bias in ZnSe/CdSe core-shell quantum dots
Nächster Artikel Deep graphene based reconfigurable circularly polarized star-shaped microstrip antenna design at terahertz frequencies for biomedical application

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

Jetzt informieren
Literatur
Ahmed, S.J., Boyer, C., Niewczas, M.: Magnetic and structural properties of Co2MnSi based Heusler compound. J. Alloy. Compd. 781, 216–225 (2019)CrossRef
Annveer, R. G., Singh, R. P., Verma, A. K., Kumar, P.: Study of magnetic, optical, electronic and thermodynamic effects in thallium rare earth disulphides (TlRES2, RE= Tb-Er). Mater. Plus 2, 20–34 (2023).
Ayad, M., Belkharroubi, F., Boufadi, F.Z., Khorsi, M., Zoubir, M.K., Ameri, M., Ameri, I., Al-Douri, Y., Bidai, K., Bensaid, D.: First-principles calculations to investigate magnetic and thermodynamic properties of new multifunctional full-Heusler alloy Co2TaGa. Ind. J. Phys. 94, 767–777 (2020)CrossRef
Balke, B., et al.: Doped semiconductors as half-metallic materials: Experiments and first-principles calculations of Co Ti 1–x M x Sb (M = Sc, V, Cr, Mn, Fe). Phys. Rev. B 77, 045209 (2008)ADSCrossRef
Barth, J., et al.: Itinerant half-metallic ferromagnets Co 2 Ti Z (Z = Si, Ge, Sn): Ab initio calculations and measurement of the electronic structure and transport properties. Phys. Rev. B 81, 064404 (2010)ADSCrossRef
Bensaid, D., Doumi, B., Ahmad, S.: Lithium doping effect for enhancing thermoelectric and optoelectronic performance of Co2NbAl. Jetp Lett. 115, 539–547 (2022)ADSCrossRef
Berrah, S., Boukortt, A., Abid, H.: Optical properties of the cubic alloy (In, Ga)N. Physica E 41, 701–704 (2009)ADSCrossRef
Blaha, P., Schwarz, K., Madsen, G., Kvasnicka, D. & Luitz, J.: WIEN2k: an augmented plane wave plus local orbitals program for calculating crystal properties. Technische Universität Wien, Wien 28, (2001).
Boeck, J.D., et al.: Technology and materials issues in semiconductor-based magnetoelectronics. Semicond. Sci. Technol. 17, 342–354 (2002)ADSCrossRef
Bouferrache, K., Ghebouli, M.A., Ghebouli, B., Fatmi, M., Alomairy, S., Chihi, T.: Stability, electronic band structure, magnetic, optical and thermoelectric properties of CoXCrZ (X= Fe, Mn and Z= Al, Si) and FeMnCrSb quaternary Heusler. Chin. J. Phys. 81, 303–324 (2003)CrossRef
Bouzouira, N., Bensaid, D., Ameri, M., Azzaz, Y., Moulay, N., Zenati, A., Ameri, I., Hachemane, D., Varshney, D., Hashim, U., Al-Douri, Y.: Structural, electronic and thermodynamic properties of half-metallic Co2CrZ (Z= Ga, Ge and As) alloys: first-principles calculations. Mater. Sci. Semicond. Process. 38, 126–136 (2015)CrossRef
Bunker, G.: Application of the ratio method of EXAFS analysis to disordered systems. Nucl. Instrum. Methods Phys. Res. 207, 437–444 (1983)ADSCrossRef
Candan, C.: Analysis and further improvement of fine resolution frequency estimation method from three DFT samples. IEEE Signal Process. Lett. 20, 913–916 (2013)ADSCrossRef
Chadov, S., et al.: Tunable multifunctional topological insulators in ternary Heusler compounds. Nature Mater 9, 541–545 (2010)ADSCrossRef
Chand, S., Singh, R.P., Govindan, A., Singh, S.K.: Mechanical, spin polarized electronic and magnetic properties of TmX (X = Cu, Ag): First principle study. Int. J. Mod. Phys. B 29, 1550007 (2015)ADSCrossRef
Chaudhary, V., Singh, S., Gujjar, D., Nautiyal, T., Maitra, T., van den Brink, J., Kandpal, H.C.: Spin and current transport in the robust half-metallic magnet c-CoFeGe. J. Phys. Condens. Matter 35(28), 285502 (2023)CrossRef
Datta, S., Das, B.: Electronic analog of the electro-optic modulator. Appl. Phys. Lett. 56, 665–667 (1990)ADSCrossRef
De Groot, R.A., Mueller, F.M., Engen, P.G.V., Buschow, K.H.J.: New class of materials: half-metallic ferromagnets. Phys. Rev. Lett. 50, 2024–2027 (1983)ADSCrossRef
Ebert, H., Ködderitzsch, D., Minár, J.: Calculating condensed matter properties using the KKR-Green’s function method—recent developments and applications. Rep. Prog. Phys. 74, 096501 (2011)ADSCrossRef
El Krimi, Y., Masrour, R.: Cobalt-based full Heusler compounds Co2FeZ (Z= Al, Si, and Ga): A comprehensive study of competition between XA and L21 atomic ordering with ab initio calculation. Mater. Sci. Eng., B 284, 115906 (2022)CrossRef
Elphick, K., et al.: Heusler alloys for spintronic devices: review on recent development and future perspectives. Sci. Technol. Adv. Mater. 22, 235–271 (2021)PubMedPubMedCentralCrossRef
Essaoud, S.S., Jbara, A.S.: First-principles calculation of magnetic, structural, dynamic, electronic, elastic, thermodynamic and thermoelectric properties of Co2ZrZ (Z= Al, Si) Heusler alloys. J. Magn. Magn. Mater. 531, 167984 (2021)CrossRef
Fadila, B., Ameri, M., Bensaid, D., Noureddine, M., Ameri, I., Mesbah, S., Al-Douri, Y.: Structural, magnetic, electronic and mechanical properties of full-Heusler alloys Co2YAl (Y= Fe, Ti): first principles calculations with different exchange-correlation potentials. J. Magn. Magn. Mater. 448, 208–220 (2018)ADSCrossRef
Fecher, G.H., Kandpal, H.C., Wurmehl, S., Felser, C., Schönhense, G.: Slater-Pauling rule and Curie temperature of Co2-based Heusler compounds. J. Appl. Phys. 99, 08J106 (2006)CrossRef
Fong, C.Y.: Pseudopotential calculations on the optical properties of palladium. J. Phys. f: Met. Phys. 4, 775–782 (1974)ADSCrossRef
Galanakis, I., Mavropoulos, P.: Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems. Phys. Rev. B 67, 104417 (2003)ADSCrossRef
Galanakis, I., Dederichs, P.H., Papanikolaou, N.: Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys. Phys. Rev. B 66, 174429 (2002)ADSCrossRef
Galanakis, I., Mavropoulos, P.: Spin-polarization and electronic properties of half-metallic Heusler alloys calculated from first principles. J. Phys.: Condens. Matter 19, 315213 (2007).
Gruszka, K., Bednarska, K.: The magnetic, structural and electronic properties of novel Y 2 FeSi Full-Heusler alloy. Acta Phys. Pol. A 135, 107–109 (2019)ADSCrossRef
Gurunani, B., Gupta, D.C.: Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an ab initio insight. RSC Adv. 13(43), 29959–29974 (2023)ADSPubMedPubMedCentralCrossRef
Hebri, S., Bensaid, D.: L21 and XA ordering effect on phase stability, electronic structure, magnetic and thermodynamic properties in Scandium-Based Full-Heusler Alloys Sc2CoZ (Z= Al, Ga, In). Euro. Phys. J. B 93, 1–11 (2020)CrossRef
Hordequin, C., Nozières, J.P., Pierre, J.: Half metallic NiMnSb-based spin-valve structures. J. Magn. Magn. Mater. 183, 225–231 (1998)ADSCrossRef
Hussain, M.K., Gao, G.Y., Yao, K.-L.: Half-Metallic properties in the New Ti2NiB Heusler alloy. J. Supercond. Nov. Magn. 28, 3285–3291 (2015)CrossRef
Ishida, S., Masaki, T., Fujii, S., Asano, S.: Theoretical predicts of half-metallic compounds with the C1b structure. Physica B 239, 163–166 (1997)ADSCrossRef
Kainuma, R., et al.: Magnetic-field-induced shape recovery by reverse phase transformation. Nature 439, 957–960 (2006)ADSPubMedCrossRef
Kainuma, R., et al.: Metamagnetic shape memory effect in NiMn-based Heusler-type alloys. J. Mater. Chem. 18, 1837 (2008)CrossRef
Kasprzak, G., Rzacki, J.: Influence of Co and Mn substitution on magnetic properties of novel Y 2 FeSi Heusler alloy. Mod. Phys. Lett. B 35, 2150088 (2021)ADSCrossRef
Kato, H., et al.: Structural and electronic properties of the ordered double perovskites A 2 M ReO 6 ( A =Sr, Ca; M =Mg, Sc, Cr, Mn, Fe Co, Ni, Zn). Phys. Rev. B 69, 184412 (2004)ADSCrossRef
Katsnelson, M.I., Irkhin, VYu., Chioncel, L., Lichtenstein, A.I., De Groot, R.A.: Half-metallic ferromagnets: from band structure to many-body effects. Rev. Mod. Phys. 80, 315–378 (2008)ADSCrossRef
Kieven, D., Klenk, R., Naghavi, S., Felser, C., Gruhn, T.: I-II-V half-Heusler compounds for optoelectronics: Ab initio calculations. Phys. Rev. B 81, 075208 (2010)ADSCrossRef
Kilian, K.A., Victora, R.H.: Electronic structure of Ni2MnIn for use in spin injection. J. Appl. Phys. 87, 7064–7066 (2000)ADSCrossRef
Koenig, C., Khan, M.A.: Self-consistent electronic structure of FeAl. Phys. Rev. B 27, 6129–6135 (1983)ADSCrossRef
Kumar, A., Srivastava, N., Srivastava, P.C.: Magnetic and structural properties of exchange coupled Heusler Alloy NiO/Co2FeAl interfaces with n-and p-typesilicon substrates. Journal of Elec Materi 49, 712–719 (2020a)ADSCrossRef
Kumar, A., Kumar, M., Singh, R.P.: Magnetic, opto-electronic, and thermodynamic properties of half-metallic double perovskite oxide, Ba2YbTaO6: a density functional theory study. J. Mater. Sci. Mater. Electron. 32, 12951–12965 (2021a)CrossRef
Kumar, M., et al.: Structural, electronic, magnetic and optical properties of double perovskite Nd2CoMnO6: First principle calculation. Optik 242, 166764 (2021b)ADSCrossRef
Kumar, A., et al.: Magneto-electronic and optical properties of full Heusler alloy, Y2FeSi: a first principle calculation with and without spin-orbit coupling effect. J. Supercond. Nov. Magn. 35, 2079–2089 (2022)CrossRef
Kumar, A., Chandel, T., Diwaker, Thakur, N.: Predicting the magnetism, structural, thermodynamic and electronic properties of new co-based Heuslers: first principle perspective. Philos. Magaz. 100(21), 2721–2734 (2020).
Lin, H., et al.: Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena. Nature Mater 9, 546–549 (2010)ADSCrossRef
Mohammedi, M., Naceur, Y., Bentouaf, A., Rached, H.: DFT study of cobalt based quaternary full-Heusler compound for spintronics and thermoelectric technologies. Energy Storage 5(6), e448 (2023)CrossRef
Pauling, L.: The Nature of the interatomic forces in metals. Phys. Rev. 54, 899–904 (1938)ADSCrossRef
Penn, D.R.: Wave-number-dependent dielectric function of semiconductors. Phys. Rev. 128, 2093–2097 (1962)ADSCrossRef
Şaşioglu, E., Sandratskii, L. M., Bruno, P.: First-principles study of exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn 2 V Z (Z = Al, Ge). J. Phys.: Condens. Matter 17, 995–1001 (2005).
Shreder, E.I., et al.: Electronic structure and optical properties of the Mn 2 CrAl Heusler alloy. Phys. Met. Metall. 121, 532–536 (2020)CrossRef
Slater, J.C.: The ferromagnetism of nickel. II. Temperature effects. Phys. Rev. 49, 931–937 (1936)ADSCrossRef
Sofi, S.A., Gupta, D.C.: High pressure-temperature study on thermodynamics, half-metallicity, transport, elastic and structural properties of co-based Heusler alloys: a first-principles study. J. Solid State Chem. 284, 121178 (2020)CrossRef
Sofi, S.A., Gupta, D.C.: Robustness in ferromagnetic phase stability, half-metallic behavior and transport properties of cobalt-based full-Heuslers compounds: A first principles approach. Int. J. Quantum Chem. 121(6), e26538 (2021)CrossRef
Soulen, R.J., et al.: Measuring the spin polarization of a metal with a superconducting point contact. Science 282, 85–88 (1998)ADSCrossRef
Stroppa, A., Picozzi, S., Continenza, A., Freeman, A.J.: Electronic structure and ferromagnetism of Mn-doped group-IV semiconductors. Phys. Rev. B 68, 155203 (2003)ADSCrossRef
Tanaka, C.T., Nowak, J., Moodera, J.S.: Spin-polarized tunneling in a half-metallic ferromagnet. J. Appl. Phys. 86, 6239–6242 (1999)ADSCrossRef
Webster, P.J.: Magnetic and chemical order in Heusler alloys containing cobalt and manganese. J. Phys. Chem. Solids 32, 1221–1231 (1971)ADSCrossRef
Wurmehl, S., et al.: Geometric, electronic, and magnetic structure of Co 2 FeSi: Curie temperature and magnetic moment measurements and calculations. Phys. Rev. B 72, 184434 (2005)ADSCrossRef
Metadaten
Titel
Exploring the physical properties of Co2MnSi full Heusler alloy: a first principles study
verfasst von
Arvind Kumar
Neelabh Srivastava
Vikrant Chaudhary
Anadi Krishna Atul
Swati Jharwal
Amit Singh Negi
Brijmohan Prajapati
Rishi P. Singh
Manish Kumar
Jitesh Kumar
Publikationsdatum
01.03.2024
Verlag
Springer US
Erschienen in
Optical and Quantum Electronics / Ausgabe 3/2024
Print ISSN: 0306-8919
Elektronische ISSN: 1572-817X
DOI
https://doi.org/10.1007/s11082-023-05970-8

Weitere Artikel der Ausgabe 3/2024

Optical and Quantum Electronics 3/2024 Zur Ausgabe

OriginalPaper

A new sensitive visualization, solitary wave profiles and conservation laws of ion sound waves arising in plasma

OriginalPaper

Cyber security analysis based medical image encryption in cloud IoT network using quantum deep learning model

OriginalPaper

New design of high transmission efficiency all-optical triplexer based on MIM plasmonic double-triangle-teeth-shaped nano-resonator waveguide structures

OriginalPaper

Image acquisition system based on optical sensors for swimmer technical analysis and simulation

OriginalPaper

Investigation of the structural and optical properties of Sb2S3/PVA/PVP nanocomposites blended sheets for optoelectronic applications

OriginalPaper

Music photonic signal analysis based health monitoring system using classification by quantum machine learning techniques

Neuer Inhalt

    Bildnachweise