First-principles calculation of X-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code
暂无分享,去创建一个
Claudia Ambrosch-Draxl | Lorenzo Pardini | Franca Manghi | Valerio Bellini | C. Ambrosch-Draxl | F. Manghi | L. Pardini | V. Bellini
[1] Claudia Ambrosch-Draxl,et al. All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures , 2009 .
[2] Thole,et al. X-ray circular dichroism and local magnetic fields. , 1993, Physical review letters.
[3] Thole,et al. X-ray circular dichroism as a probe of orbital magnetization. , 1992, Physical review letters.
[4] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[5] C. Brouder. Angular dependence of X-ray absorption spectra , 1990 .
[6] D. Koelling,et al. A linearised relativistic augmented-plane-wave method utilising approximate pure spin basis functions , 1980 .
[7] D. Koelling,et al. A technique for relativistic spin-polarised calculations , 1977 .
[8] Johansson,et al. 4f-band magnetism in CeFe2. , 1988, Physical review letters.
[9] H. Ebert,et al. Magnetic circular dichroism in X-ray absorption: theoretical description and applications , 2004 .
[10] P. Blaha,et al. Understanding the L2,3 x-ray absorption spectra of early 3d transition elements , 2010 .
[12] J. Venables,et al. Condensed matter , 1974, Nature.
[13] O. K. Andersen,et al. Linear methods in band theory , 1975 .
[14] A. Panchula,et al. MAGNETIC RESPONSE FUNCTION OF THE ITINERANT FERROMAGNET CEFE2 , 1998 .
[15] Alexey I. Nesvizhskii,et al. Dynamic screening effects in x-ray absorption spectra , 2003 .
[16] Ingvar Lindgren,et al. Atomic Many-Body Theory , 1982 .
[17] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[18] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[19] Blöchl,et al. Improved tetrahedron method for Brillouin-zone integrations. , 1994, Physical review. B, Condensed matter.
[20] G. Lander,et al. Magnetic ground state of pure and doped CeFe2. , 2003, Physical review letters.
[21] A. Yaresko,et al. X-ray magnetic circular dichroism inCeFe2: First-principles calculations , 2008 .
[22] Marco Finazzi,et al. X-ray magnetic circular dichroism study on CeFe2 , 1998 .
[23] C. Draxl,et al. XMCD Spectra Based on DensityFunctional Theory , 2011 .
[24] J. Desclaux. A multiconfiguration relativistic DIRAC-FOCK program , 1984 .
[25] R. D. Cowan,et al. The Theory of Atomic Structure and Spectra , 1981 .
[26] Singh,et al. Ground-state properties of lanthanum: Treatment of extended-core states. , 1991, Physical review. B, Condensed matter.
[27] Bauer,et al. Magnetic circular x-ray dichroism in Ce intermetallic compounds. , 1993, Physical review. B, Condensed matter.
[28] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[29] J. Desclaux,et al. Hartree Fock Slater self consistent field calculations , 1984 .
[30] F. Manghi,et al. Effects of electronic correlation on x-ray absorption and dichroic spectra at L2, 3 edge , 2010, Journal of physics. Condensed matter : an Institute of Physics journal.
[31] D. Koelling,et al. Use of energy derivative of the radial solution in an augmented plane wave method: application to copper , 1975 .
[32] David J. Singh,et al. An alternative way of linearizing the augmented-plane-wave method , 2000 .
[33] David J. Singh. Planewaves, Pseudopotentials, and the LAPW Method , 1993 .
[34] Claudia Ambrosch-Draxl,et al. Augmented Planewave Methods , 2004 .
[35] Jorge O. Sofo,et al. Linear optical properties of solids within the full-potential linearized augmented planewave method , 2004, Comput. Phys. Commun..
[36] Johansson,et al. First-principles study of the magnetization density in CeFe2. , 1994, Physical review. B, Condensed matter.