Publication Cover
Phase Transitions
A Multinational Journal
Volume 93, 2020 - Issue 2
72
Views
3
CrossRef citations to date
0
Altmetric
Articles

New stable half-metallic ferromagnetic structure of KO

, , , &
Pages 217-227 | Received 15 Aug 2019, Accepted 13 Dec 2019, Published online: 08 Jan 2020

References

  • de Groot RA, Mueller FM, Van Engen PG, et al. New class of materials: half-metallic ferromagnets. Phys Rev Lett. 1983;50:2024–2027. doi: 10.1103/PhysRevLett.50.2024
  • Barthélémy A, Fert A, Petroff F. Giant magnetoresistance in magnetic multilayers. Handb Magn Mater. 1999;12:1–96. doi: 10.1016/S1567-2719(99)12005-5
  • Tsymbal EY, Mryasov ON, LeClair PR. Spin-dependent tunnelling in magnetic tunnel junctions. J Phys: Condens Matter. 2003;15:R109–R142.
  • Fert A. Les débuts de la spintronique - Travaux précurseurs et magnétorésistance géante. Reflets de la Physique. 2009;15:5–10. doi: 10.1051/refdp/2009015
  • Ko V, Han G, Feng Y. Electronic band structure matching for half- and full-Heusler alloys. J Magn Magn Mater. 2010;322:2989–2993. doi: 10.1016/j.jmmm.2010.05.017
  • Chatterjee S, Singh V, Deb A, et al. Magnetic properties of Ni2+ xMn1-xIn Heusler alloys: theory and experiment. J Magn Magn Mater. 2010;322:102–107. doi: 10.1016/j.jmmm.2009.08.040
  • Alijani V, Winterlik J, Fecher GH, et al. Quaternary half-metallic Heusler ferromagnets for spintronics applications. Phys Rev B. 2011;83:184428. doi: 10.1103/PhysRevB.83.184428
  • Luo H, Liu G, Meng F, et al. Slater–Pauling behavior and half-metallicity in Heusler alloys Mn2CuZ (Z = Ge and Sb). Comput Mater Sci. 2011;50:3119–3122. doi: 10.1016/j.commatsci.2011.05.037
  • 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. 2003;67:104417. doi: 10.1103/PhysRevB.67.104417
  • Liu B-G. Robust half-metallic ferromagnetism in zinc-blende CrSb. Phys Rev B. 2003;67:172411. doi: 10.1103/PhysRevB.67.172411
  • Gao G, Yao K, Şaşıoğlu E, et al. Half-metallic ferromagnetism in zinc-blende CaC, SrC, and BaC from first principles. Phys Rev B. 2007;75:174442. doi: 10.1103/PhysRevB.75.174442
  • Kobayashi K-I, Kimura T, Sawada H, et al. Room-temperature magnetoresistance in an oxide material with an ordered double-perovskite structure. Nature. 1998;395:677–680. doi: 10.1038/27167
  • Jaiganesh G, Kalpana G. First-principles study of structural, electronic and magnetic properties of AeX (Ae = Be, Mg, Sr, Ba; X = Si, Ge and Sn) compounds. J Magn Magn Mater. 2013;326:66–74. doi: 10.1016/j.jmmm.2012.07.001
  • Lei G, Liu X-X, Xie H-H, et al. First-principle study of half-metallic ferromagnetism in rocksalt XO (X=Li, K, Rb, Cs). J Magn Magn Mater. 2016;397:176–180. doi: 10.1016/j.jmmm.2015.08.104
  • Volnianska O, Boguslawski P. Magnetism of solids resulting from spin polarization of p orbitals. J Phys: Condens Matter. 2010;22:073202.
  • Bremm T, Jansen M. Verfeinerung der Kristallstruktur von K2O2. Z Anorg Allg Chem. 1992;610:64–66. doi: 10.1002/zaac.19926100111
  • Kohn W, Sham LJ. Self-consistent equations including exchange and correlation effects. Phys Rev. 1965;140:A1133–A1138. doi: 10.1103/PhysRev.140.A1133
  • Sjöstedt E, Nordström L, Singh D. An alternative way of linearizing the augmented plane-wave method. Solid State Commun. 2000;114:15–20. doi: 10.1016/S0038-1098(99)00577-3
  • Blaha P, Schwarz K, Madsen G, et al. WIEN2k, an augmented plane. Wave+ Local Orbitals Program for Calculating Crystal Properties. 2001.
  • Slater JC. Wave functions in a periodic potential. Phys Rev. 1937;51:846–851. doi: 10.1103/PhysRev.51.846
  • Perdew JP, Ruzsinszky A, Csonka GI, et al. Restoring the density-gradient expansion for exchange in solids and surfaces. Phys Rev Lett. 2008;100:136406. doi: 10.1103/PhysRevLett.100.136406
  • Murnaghan F. The compressibility of media under extreme pressures. Proc Natl Acad Sci USA. 1944;30:244–247. doi: 10.1073/pnas.30.9.244
  • Tyuterev V, Vast N. Murnaghan’s equation of state for the electronic ground state energy. Comput Mater Sci. 2006;38:350–353. doi: 10.1016/j.commatsci.2005.08.012
  • Ahmadian F. Half-metallic Ferromagnetism in the Rocksalt and Zincblende NaX (X = O, S, Se, Te, and Po). J Supercond Novel Magn. 2012;25:1589–1596. doi: 10.1007/s10948-012-1480-x
  • Föppl H. Die kristallstrukturen der alkaliperoxyde. Z Anorg Allg Chem. 1957;291:12–50. doi: 10.1002/zaac.19572910104
  • Tallman RL, Margrave JL, Bailey SW. The crystal structure of sodium peroxide. J Am Chem Soc. 1957;79:2979–2980. doi: 10.1021/ja01568a087
  • Jimlim P, Tsuppayakorn-aek P, Pakornchote T, et al. Theoretical predictions for low-temperature phases, softening of phonons and elastic stiffnesses, and electronic properties of sodium peroxide under high pressure. RSC Adv. 2019;9:30964–30975. doi: 10.1039/C9RA03735G
  • Jaffe JE, Snyder JA, Lin Z, et al. LDA and GGA calculations for high-pressure phase transitions in ZnO and MgO. Phys Rev B. 2000;62:1660. doi: 10.1103/PhysRevB.62.1660
  • Gaddy BE, Paisley EA, Maria J-P, et al. Overcoming the polarization catastrophe in the rocksalt oxides MgO and CaO. Phys Rev B. 2014;90:125403. doi: 10.1103/PhysRevB.90.125403
  • Baltache H, Khenata R, Sahnoun M, et al. Full potential calculation of structural, electronic and elastic properties of alkaline earth oxides MgO, CaO and SrO. Phys B. 2004;344:334–342. doi: 10.1016/j.physb.2003.09.274
  • Speziale S, Zha CS, Duffy TS, et al. Quasi-hydrostatic compression of magnesium oxide to 52 GPa: implications for the pressure-volume-temperature equation of state. J Geophys Res. 2001;106:515–528. doi: 10.1029/2000JB900318
  • Marinelli F, Lichanot A. Elastic constants and electronic structure of alkaline-earth chalcogenides. Performances of various hamiltonians. Chem Phys Lett. 2003;367:430–438. doi: 10.1016/S0009-2614(02)01698-6
  • Richet P, Mao HK, Bell PM. Static compression and equation of state of CaO to 1.35 Mbar. J Geophys Res. 1988;93:15279–15288. doi: 10.1029/JB093iB12p15279
  • Deng Y, Jia O-H, Chen X-R, et al. Phase transition and elastic constants of CaO from first-principle calculations. Phys B. 2007;392:229–232. doi: 10.1016/j.physb.2006.11.023
  • Sato K, Dederichs PH, Katayama-Yoshida H, et al. Exchange interactions in diluted magnetic semiconductors. J Phys: Condens Matter. 2004;16:S5491–S5497.
  • Born M, Huang K. Dynamical theory of crystal lattices. Oxford: Clarendon Press; 1954.
  • Kittel C. Introduction à la physique de l'état solide: maîtrise de physique. 1972.
  • Hill R. The elastic behaviour of a crystalline aggregate. Proc Phys Soc Section A. 1952;65:349–354. doi: 10.1088/0370-1298/65/5/307
  • Pugh S. XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals. London, Edinburgh, Dublin Philos Mag J Sci. 1954;45:823–843. doi: 10.1080/14786440808520496
  • Chung D, Buessem W, Vahldiek FW, et al. Anisotropy in single crystal refractory compounds. (Vol. 328). New York: Plenum; 1968.
  • Benallou Y, Amara K, Doumi B, et al. Structural stability, electronic structure, and novel transport properties with high thermoelectric performances of ZrIrX (X $$= $$= As, Bi, and Sb). J Comput Electron. 2017;16:1–11. doi: 10.1007/s10825-016-0937-8
  • Haines J, Leger J, Bocquillon G. Synthesis and design of superhard materials. Annu Rev Mater Res. 2001;31:1–23. doi: 10.1146/annurev.matsci.31.1.1
  • Vargas-Hernández C, Cruz RB. Half-metallic ferromagnetism of ZnxMn1− xO compounds: a first-principles study. Comput Condens Matter. 2015;4:1–5. doi: 10.1016/j.cocom.2015.04.001
  • Xie W-H, Xu Y-Q, Liu B-G, et al. Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. Phys Rev Lett. 2003;91:037204. doi: 10.1103/PhysRevLett.91.037204
  • Gao G, Yao K, Song M, et al. Half-metallic ferromagnetism in rocksalt and zinc-blende MS (M = Li, Na and K): A first-principles study. J Magn Magn Mater. 2011;323:2652–2657. doi: 10.1016/j.jmmm.2011.06.003
  • Zhang Y, Qi Y, Hu Y. Half-metallic ferromagnetism in rocksalt NaN and KN from first principles. J Magn Magn Mater. 2012;324:2523–2527. doi: 10.1016/j.jmmm.2012.03.032
  • Gao G, Yao K. Half-metallic sp-electron ferromagnets in rocksalt structure: The case of SrC and BaC. Appl Phys Lett. 2007;91:082512. doi: 10.1063/1.2775081

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.