Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications
暂无分享,去创建一个
T. Björkman | I. D. Marco | O. Eriksson | O. Grånäs | L. Nordström | P. Thunström | J. Wills | J. M. Wills | O. Eriksson | O. Graanas | I. Di Marco | P. Thunstrom | L Nordstrom | T. Bjorkman | L. Nordstrom | T. Bjorkman | O. Graanas | P. Thunstrom
[1] V. Anisimov,et al. NiO: correlated band structure of a charge-transfer insulator. , 2007, Physical review letters.
[2] G. Sawatzky,et al. Density-functional theory and NiO photoemission spectra. , 1993, Physical review. B, Condensed matter.
[3] M. Katsnelson,et al. Correlation effects in electronic structure of actinide monochalcogenides , 2005 .
[4] G. Kotliar,et al. Correlated electrons in δ-plutonium within a dynamical mean-field picture , 2001, Nature.
[5] A. Georges,et al. Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications , 2007, 0705.2161.
[6] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[7] Dynamical mean-field theory of photoemission spectra of actinide compounds , 2005, cond-mat/0508311.
[8] V. Anisimov,et al. Local correlations and hole doping in NiO: A dynamical mean-field study , 2006, cond-mat/0612116.
[9] A. I. Lichtenstein,et al. Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach , 1997, cond-mat/9707127.
[10] Joshua R. Smith,et al. Universal features of the equation of state of solids , 1989 .
[11] V. Anisimov,et al. Electronic correlations at the α-γ structural phase transition in paramagnetic iron. , 2010, Physical review letters.
[12] C. Marianetti,et al. Electronic structure calculations with dynamical mean-field theory , 2005, cond-mat/0511085.
[13] K. Müller,et al. Possible highTc superconductivity in the Ba−La−Cu−O system , 1986 .
[14] F. D. Bergevin,et al. Observation of orbital moment in NiO , 1998 .
[15] A. Lichtenstein,et al. First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method , 1997 .
[16] F. Birch. Elasticity and Constitution of the Earth's Interior , 1952 .
[17] V. Anisimov,et al. Band theory and Mott insulators: Hubbard U instead of Stoner I. , 1991, Physical review. B, Condensed matter.
[18] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[19] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[20] Oleksiy Grechnyev. Theoretical Studies of Two-Dimensional Magnetism and Chemical Bonding , 2005 .
[21] P. Wilcox,et al. AIP Conference Proceedings , 2012 .
[22] M. Katsnelson,et al. Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni , 2007 .
[23] C. Humphreys,et al. Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study , 1998 .
[24] A. Fetter,et al. Quantum Theory of Many-Particle Systems , 1971 .
[25] G. Kotliar,et al. Spectral density functionals for electronic structure calculations , 2001, cond-mat/0106308.
[26] M. Katsnelson,et al. Finite-temperature magnetism of transition metals: an ab initio dynamical mean-field theory. , 2001, Physical review letters.
[27] Hideo Hosono,et al. Iron-based layered superconductor La[O(1-x)F(x)]FeAs (x = 0.05-0.12) with T(c) = 26 K. , 2008, Journal of the American Chemical Society.
[28] Hong,et al. Magnetic properties of R ions in RCo5 compounds (R=Pr, Nd, Sm, Gd, Tb, Dy, Ho, and Er). , 1991, Physical review. B, Condensed matter.
[29] E. Rotenberg,et al. Observation of the two-hole satellite in Cr and Fe metal by resonant photoemission at the 2p absorption energy , 2000 .
[30] S. Lebègue,et al. Multiplet effects in the electronic structure of intermediate-valence compounds , 2009 .
[31] LDA++ approach to the electronic structure of magnets: correlation effects in iron , 1998, cond-mat/9808094.
[32] S. Lebègue,et al. Multiplet effects in the electronic structure of heavy rare-earth metals , 2006 .
[33] S. Lebègue,et al. Electronic structure and spectroscopic properties of thulium monochalcogenides , 2005 .
[34] Electronic structure and magnetic properties of correlated metals , 2002, cond-mat/0204564.
[35] Mebarek Alouani,et al. Full-Potential Electronic Structure Method , 2010 .
[36] H. Dürr,et al. Strength of correlation effects in the electronic structure of iron. , 2009, Physical review letters.
[37] I. Leonov,et al. LDA+DMFT computation of the electronic spectrum of NiO , 2006, cond-mat/0606285.
[38] F. Jing,et al. Magnetism and phase transitions of iron under pressure , 2008 .
[39] Johansson,et al. Orbital magnetism in Fe, Co, and Ni. , 1990, Physical review. B, Condensed matter.
[40] Kristjan Haule,et al. Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn 5 , CeCoIn 5 , and CeRhIn 5 , 2009, 0907.0195.
[41] 小谷 正雄. 日本物理学会誌及びJournal of the Physical Society of Japanの月刊について , 1955 .
[42] W. Krauth,et al. Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions , 1996 .
[43] USA,et al. First-principles calculations of the electronic structure and spectra of strongly correlated systems: Dynamical mean-field theory , 1997, cond-mat/9704231.
[44] A. Georges,et al. Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO , 2009, 0906.3735.
[45] P. Thalmeier,et al. Intra-atomic correlation energies in cubic metals with canonicaldbands , 1979 .
[46] A. Lichtenstein,et al. Electronic structure and spectral properties of Am, Cm, and Bk: Charge-density self-consistent LDA + HIA calculations in the FP-LAPW basis , 2009, 0903.1998.
[47] F. D. Bergevin,et al. Observation of orbital moment in NiO using magnetic x-ray scattering , 1999 .
[48] H. Ebert,et al. Correlation effects in the total energy, the bulk modulus, and the lattice constant of a transition metal: Combined local-density approximation and dynamical mean-field theory applied to Ni and Mn , 2008, 0809.4921.
[49] F. Murnaghan. The Compressibility of Media under Extreme Pressures. , 1944, Proceedings of the National Academy of Sciences of the United States of America.
[50] A. I. Lichtenstein,et al. Multiple-scattering formalism for correlated systems: A KKR-DMFT approach , 2005, cond-mat/0504760.
[51] J. Hubbard. Electron correlations in narrow energy bands , 1963, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[52] Cooper,et al. Synthesis of band and model Hamiltonian theory for hybridizing cerium systems. , 1987, Physical review. B, Condensed matter.
[53] H. Ebert,et al. Quantitative determination of spin-dependent quasiparticle lifetimes and electronic correlations in hcp cobalt , 2010, 1008.3414.
[54] T. Oguchi,et al. Spin-Polarized AM05 Functional for 3d-Transition Metals , 2010 .
[55] J. Costa-Quintana,et al. A First-Principles Pseudopotential Model for the Strong Intrasite Interaction Applied to the 4f13 Configuration (Yb2O3) , 1984, May 1.
[56] Antoine Georges,et al. Mott transition and suppression of orbital fluctuations in orthorhombic 3d1 perovskites. , 2004, Physical review letters.
[57] F. Cacialli. Journal of Physics Condensed Matter: Preface , 2002 .