메뉴 건너뛰기




Volumn 87, Issue 4, 2013, Pages

Modified Becke-Johnson potential investigation of half-metallic Heusler compounds

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84872233153     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.87.045103     Document Type: Article
Times cited : (38)

References (59)
  • 2
  • 4
    • 33947614712 scopus 로고    scopus 로고
    • Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds
    • DOI 10.1088/0022-3727/40/6/S01, PII S0022372707360798, S01
    • H. C. Kandpal, G. H. Fecher, and C. Felser, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/40/6/S01 40, 1507 (2007). (Pubitemid 46485660)
    • (2007) Journal of Physics D: Applied Physics , vol.40 , Issue.6 , pp. 1507-1523
    • Kandpal, H.C.1    Fecher, G.H.2    Felser, C.3
  • 5
    • 36448945520 scopus 로고    scopus 로고
    • 2YSi (Y = Cr, Mn, Fe, Co, Ni) Heusler alloys: A theoretical and experimental study
    • DOI 10.1088/0022-3727/40/22/039, PII S0022372707572931
    • H. Luo, Z. Zhu, L. Ma, S. Xu, H. Liu, J. Qu, Y. Li, and G. Wu, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/40/22/039 40, 7121 (2007). (Pubitemid 350163961)
    • (2007) Journal of Physics D: Applied Physics , vol.40 , Issue.22 , pp. 7121-7127
    • Luo, H.1    Zhu, Z.2    Ma, L.3    Xu, S.4    Liu, H.5    Qu, J.6    Li, Y.7    Wu, G.8
  • 7
    • 10644250257 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B865 (1964).
    • (1964) Phys. Rev. , vol.136 , pp. 865
    • Hohenberg, P.1    Kohn, W.2
  • 8
    • 0042113153 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 9
    • 34547237417 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2189226
    • M. Grüning, A. Marini, and A. Rubio, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2189226 124, 154108 (2006).
    • (2006) J. Chem. Phys. , vol.124 , pp. 154108
    • Grüning, M.1    Marini, A.2    Rubio, A.3
  • 10
    • 0035831991 scopus 로고    scopus 로고
    • Density functional theory of magnetic systems revisited
    • DOI 10.1016/S0038-1098(01)00053-9, PII S0038109801000539
    • H. Eschrig and W. E. Pickett, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(01)00053-9 118, 123 (2001). (Pubitemid 32272193)
    • (2001) Solid State Communications , vol.118 , Issue.3 , pp. 123-127
    • Eschrig, H.1    Pickett, W.E.2
  • 11
    • 1542388160 scopus 로고    scopus 로고
    • RPPHAG 0034-4885 10.1088/0034-4885/61/3/002
    • F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998).
    • (1998) Rep. Prog. Phys. , vol.61 , pp. 237
    • Aryasetiawan, F.1    Gunnarsson, O.2
  • 12
    • 33745137071 scopus 로고    scopus 로고
    • A simple effective potential for exchange
    • DOI 10.1063/1.2213970
    • A. D. Becke and E. R. Johnson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2213970 124, 221101 (2006). (Pubitemid 43893829)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.22 , pp. 221101
    • Becke, A.D.1    Johnson, E.R.2
  • 13
    • 66649086821 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.102.226401
    • F. Tran and P. Blaha, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.226401 102, 226401 (2009).
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 226401
    • Tran, F.1    Blaha, P.2
  • 14
    • 0000883558 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.39.3761
    • A. D. Becke and M. R. Roussel, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.39.3761 39, 3761 (1989).
    • (1989) Phys. Rev. A , vol.39 , pp. 3761
    • Becke, A.D.1    Roussel, M.R.2
  • 15
    • 41549109757 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.77.165106
    • R. Armiento, S. Kümmel, and T. Körzdörfer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.165106 77, 165106 (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 165106
    • Armiento, R.1    Kümmel, S.2    Körzdörfer, T.3
  • 18
    • 79961105832 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.195134
    • D. Koller, F. Tran, and P. Blaha, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.195134 83, 195134 (2011).
    • (2011) Phys. Rev. B , vol.83 , pp. 195134
    • Koller, D.1    Tran, F.2    Blaha, P.3
  • 19
    • 84860267022 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.85.155109
    • D. Koller, F. Tran, and P. Blaha, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.155109 85, 155109 (2012).
    • (2012) Phys. Rev. B , vol.85 , pp. 155109
    • Koller, D.1    Tran, F.2    Blaha, P.3
  • 20
    • 0037174621 scopus 로고    scopus 로고
    • Density functional theory: In pursuit of the "divine" functional
    • DOI 10.1126/science.1077710
    • A. E. Mattson, Science SCIEAS 0036-8075 10.1126/science.1077710 298, 259 (2002). (Pubitemid 35231513)
    • (2002) Science , vol.298 , Issue.5594 , pp. 759-760
    • Mattsson, A.E.1
  • 21
    • 79952614274 scopus 로고    scopus 로고
    • EULEEJ 0295-5075 10.1209/0295-5075/93/47006
    • S.-D. Guo and B.-G. Liu, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/93/47006 93, 47006 (2011).
    • (2011) Europhys. Lett. , vol.93 , pp. 47006
    • Guo, S.-D.1    Liu, B.-G.2
  • 22
    • 84872224087 scopus 로고    scopus 로고
    • Computer code elk, ver. 1.4.22
    • Computer code elk, ver. 1.4.22, http://elk.sourceforge.net
  • 24
    • 33645898818 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 25
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 29
    • 0035811155 scopus 로고    scopus 로고
    • 2VAl: Search for half-metallicity
    • DOI 10.1016/S0038-1098(01)00151-X, PII S003810980100151X
    • C. Jiang, M. Venkatesan, and J. M. D. Coey, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(01)00151-X 118, 513 (2001). (Pubitemid 32471291)
    • (2001) Solid State Communications , vol.118 , Issue.10 , pp. 513-516
    • Jiang, C.1    Venkatesan, M.2    Coey, J.M.D.3
  • 32
    • 80053915486 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.84.125104
    • D. Do, M.-S. Lee, and S. D. Mahanti, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.125104 84, 125104 (2011).
    • (2011) Phys. Rev. B , vol.84 , pp. 125104
    • Do, D.1    Lee, M.-S.2    Mahanti, S.D.3
  • 33
    • 33744818476 scopus 로고    scopus 로고
    • Quasiparticle self-consistent GW theory
    • DOI 10.1103/PhysRevLett.96.226402
    • M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
    • (2006) Physical Review Letters , vol.96 , Issue.22 , pp. 226402
    • Van Schilfgaarde, M.1    Kotani, T.2    Faleev, S.3
  • 34
    • 80051593325 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.3619844
    • I. Galanakis and E. Sasioglu, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3619844 99, 052509 (2011).
    • (2011) Appl. Phys. Lett. , vol.99 , pp. 052509
    • Galanakis, I.1    Sasioglu, E.2
  • 35
    • 42449128433 scopus 로고    scopus 로고
    • Proposal for a new class of materials: Spin gapless semiconductors
    • DOI 10.1103/PhysRevLett.100.156404
    • X. L. Wang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100. 156404 100, 156404 (2008). (Pubitemid 351570763)
    • (2008) Physical Review Letters , vol.100 , Issue.15 , pp. 156404
    • Wang, X.L.1
  • 37
    • 34248653730 scopus 로고    scopus 로고
    • Band gap calculations with Becke-Johnson exchange potential
    • DOI 10.1088/0953-8984/19/19/196208, PII S0953898407454558
    • F. Tran, P. Blaha, and K. Schwarz, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/19/196208 19, 196208 (2007). (Pubitemid 46774753)
    • (2007) Journal of Physics Condensed Matter , vol.19 , Issue.19 , pp. 196208
    • Tran, F.1    Blaha, P.2    Schwarz, K.3
  • 47
    • 0037104268 scopus 로고    scopus 로고
    • A. Ślebarski, PRBMDO 1098-0121 10.1103/PhysRevB.66.075122
    • S. V. Dordevic, D. N. Basov, A. Ślebarski, M. B. Maple, and L. Degiorgi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.075122 66, 075122 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 075122
    • Dordevic, S.V.1    Basov, D.N.2    Maple, M.B.3    Degiorgi, L.4
  • 49
    • 0036752561 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.66.094421
    • S. Picozzi, A. Continenza, and A. J. Freeman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.094421 66, 094421 (2002).
    • (2002) Phys. Rev. B , vol.66 , pp. 094421
    • Picozzi, S.1    Continenza, A.2    Freeman, A.J.3
  • 55
    • 78649707240 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.205102
    • D. J. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.205102 82, 205102 (2010).
    • (2010) Phys. Rev. B , vol.82 , pp. 205102
    • Singh, D.J.1
  • 57
    • 84867288346 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.86.134406
    • F. Tran, D. Koller, and P. Blaha, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.134406 86, 134406 (2012).
    • (2012) Phys. Rev. B , vol.86 , pp. 134406
    • Tran, F.1    Koller, D.2    Blaha, P.3
  • 59
    • 0031655294 scopus 로고    scopus 로고
    • JMMMDC 0304-8853 10.1016/S0304-8853(97)00441-1
    • T. Kotani and H. Akai, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/S0304-8853(97)00441-1 177-181, 569 (1998).
    • (1998) J. Magn. Magn. Mater. , vol.177-181 , pp. 569
    • Kotani, T.1    Akai, H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.