Covalency in transition-metal oxides within all-electron dynamical mean-field theory
暂无分享,去创建一个
[1] Satoshi Okamoto,et al. Dimensional-crossover-driven metal-insulator transition in SrVO3 ultrathin films. , 2010, Physical review letters.
[2] W. Pickett,et al. Charge fluctuations and the valence transition in Yb under pressure. , 2009, Physical review letters.
[3] Takashi Miyake,et al. Ab initio procedure for constructing effective models of correlated materials with entangled band structure , 2009, 0906.1344.
[4] F. Cyrot-Lackmann,et al. Preparation and structure of the compounds SrVO3 and Sr2VO4 , 1990 .
[5] H. Bethe. Theorie der Beugung von Elektronen an Kristallen , 1928 .
[6] Antoine Georges,et al. The alpha-gamma transition of cerium is entropy driven. , 2006, Physical review letters.
[7] Georges,et al. Hubbard model in infinite dimensions. , 1992, Physical review. B, Condensed matter.
[8] Siegfried Schmauder,et al. Comput. Mater. Sci. , 1998 .
[9] How chemistry controls electron localization in 3d1 perovskites: a Wannier-function study , 2005, cond-mat/0504034.
[10] Optical conductivity in Mott-Hubbard systems. , 1995, Physical review letters.
[11] G. Kotliar,et al. Correlation-enhanced electron-phonon coupling: Applications of GW and screened hybrid functional to bismuthates, chloronitrides, and other high-Tc superconductors , 2011, 1110.5751.
[12] M. Rozenberg,et al. Metal-insulator transitions in the periodic Anderson model. , 2007, Physical review letters.
[13] I. A. Nekrasov,et al. Comparative study of correlation effects in CaVO3 and SrVO3 , 2005, cond-mat/0501240.
[14] R. K. Smith,et al. Optical study of strained ultrathin films of strongly correlated LaNiO 3 , 2011 .
[15] Y. Tokura,et al. Photoemission spectral weight transfer and mass renormalization in the Fermi-liquid system La1 − xSrxTiO3 + y/2 , 1999, cond-mat/9911446.
[16] David Vanderbilt,et al. Effective J=1/2 insulating state in Ruddlesden-Popper iridates: an LDA+DMFT study. , 2013, Physical review letters.
[17] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[18] Fujio Izumi,et al. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data , 2011 .
[19] G. Kotliar,et al. Fluctuating valence in a correlated solid and the anomalous properties of δ-plutonium , 2007, Nature.
[20] Kristjan Haule. Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base , 2007 .
[21] Zhang,et al. Mott transition in the d= , 1993, Physical review letters.
[22] D. Vollhardt,et al. Correlated Lattice Fermions in High Dimensions , 1989 .
[23] Zhang,et al. Mott-Hubbard transition in infinite dimensions. II. , 1994, Physical review. B, Condensed matter.
[24] G. Kotliar,et al. X-ray absorption branching ratio in actinides: LDA+DMFT approach , 2008, 0809.3843.
[25] Antoine Georges,et al. Mott transition and suppression of orbital fluctuations in orthorhombic 3d1 perovskites. , 2004, Physical review letters.
[26] Andrew J. Millis,et al. Covalency and the metal-insulator transition in titanate and vanadate perovskites , 2014 .
[27] Suzuki,et al. Photoemission study of single-crystalline (La1-xSrx , 1988, Physical review. B, Condensed matter.
[28] Kwang Soo Kim,et al. Orbital selective Fermi surface shifts and mechanism of high T(c) superconductivity in correlated AFeAs (A=Li, Na). , 2012, Physical review letters.
[29] K. Shimizu,et al. Experimental and theoretical evidence for pressure-induced metallization in FeO with rocksalt-type structure. , 2011, Physical review letters.
[30] Patrick S'emon,et al. Importance of subleading corrections for the Mott critical point , 2011, 1110.6195.
[31] 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.
[32] F. Lechermann,et al. Dynamical mean-field theory using Wannier functions: A flexible route to electronic structure calculations of strongly correlated materials , 2006 .
[33] Lev P. Gor'kov,et al. Quantum field theoretical methods in statistical physics , 1967 .
[34] G. Kotliar,et al. Arrested Kondo effect and hidden order in URu 2 Si 2 , 2009, 0907.3889.
[35] Andrew J. Millis,et al. Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides , 2011, 1110.2782.
[36] Markus Aichhorn,et al. Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO , 2011, 1104.4361.
[38] G. Kotliar,et al. Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides. , 2011, Nature materials.
[39] G. Kotliar,et al. Screening of magnetic moments in PuAm alloy: local density approximation and dynamical mean field theory study. , 2008, Physical review letters.
[40] Antoine Georges,et al. Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals , 2008, 0801.4353.
[41] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[42] G. Kotliar,et al. Calculated Phonon Spectra of Plutonium at High Temperatures , 2003, Science.
[43] T. Lorenz,et al. Crystal and magnetic structure of LaTiO3 : evidence for non-degenerate $t_{2g}$-orbitals , 2003, cond-mat/0302087.
[44] Masatoshi Imada,et al. Metal-insulator transitions , 1998 .
[45] R. Rosenfeld. Nature , 2009, Otolaryngology--head and neck surgery : official journal of American Academy of Otolaryngology-Head and Neck Surgery.
[46] O. K. Andersen,et al. Orbital fluctuations in the different phases of LaVO(3) and YVO(3). , 2007, Physical review letters.
[47] A. I. Lichtenstein,et al. Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach , 1997, cond-mat/9707127.
[48] P. Woodward. Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces , 1997 .
[49] G. Kotliar,et al. Plutonium hexaboride is a correlated topological insulator. , 2013, Physical review letters.
[50] Matthew J. Rosseinsky,et al. Physical Review B , 2011 .
[51] T. M. Rice,et al. Metal‐Insulator Transitions , 2003 .
[52] A. Georges,et al. Universality and Critical Behavior at the Mott Transition , 2003, Science.
[53] R. K. Smith,et al. Optical probe of strong correlations in LaNiO3 thin films , 2010, 1005.3314.
[54] K. Held,et al. Electronic structure calculations using dynamical mean field theory , 2005, cond-mat/0511293.
[55] Ericka Stricklin-Parker,et al. Ann , 2005 .
[56] N. Mott,et al. Discussion of the paper by de Boer and Verwey , 1937 .
[57] A. Lichtenstein,et al. First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method , 1997 .
[58] G. Kotliar,et al. Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5. , 2011, Physical review letters.
[59] Martin Dressel,et al. Electrodynamics of correlated electron materials , 2011, 1106.2309.
[60] A. Georges,et al. Coherence-incoherence crossover and the mass-renormalization puzzles in Sr(2)RuO(4). , 2010, Physical review letters.
[61] C. Marianetti,et al. Electronic structure calculations with dynamical mean-field theory , 2005, cond-mat/0511085.
[62] R. Scalettar,et al. Cerium volume collapse: results from the merger of dynamical mean-field theory and local density approximation. , 2001, Physical review letters.
[63] N. Marzari,et al. Maximally-localized Wannier Functions: Theory and Applications , 2011, 1112.5411.
[64] G. Kotliar,et al. Correlated electrons in δ-plutonium within a dynamical mean-field picture , 2001, Nature.
[65] T. Björkman,et al. Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications , 2011, 1110.2606.
[66] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[67] K Tanaka,et al. Direct observation of the mass renormalization in SrVO3 by angle resolved photoemission spectroscopy. , 2005, Physical review letters.
[68] G. Kotliar,et al. Magnetism and charge dynamics in iron pnictides , 2010, 1007.2867.
[69] W. Krauth,et al. Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions , 1996 .
[70] F. Bloch,et al. Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitfähigkeit , 1929 .
[71] USA,et al. First-principles calculations of the electronic structure and spectra of strongly correlated systems: Dynamical mean-field theory , 1997, cond-mat/9704231.
[72] D. MacLean,et al. Crystal structures and crystal chemistry of the RETiO3 perovskites: RE = La, Nd, Sm, Gd, Y , 1979 .
[73] G. Kotliar,et al. Modeling the Localized-to-Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5 , 2007, Science.
[74] B. Batlogg,et al. Structural Aspects of the Crystallographic-Magnetic Transition in LaVO3 around 140 K , 1993 .
[75] F. Lechermann,et al. Nature of the Mott transition in Ca2RuO4. , 2010, Physical review letters.
[76] Hideomi Koinuma,et al. Coherent and incoherent d band dispersions in SrVO 3 , 2009 .
[77] G. Kotliar,et al. Signatures of electronic correlations in iron silicide , 2011, Proceedings of the National Academy of Sciences.
[78] S. Hayden,et al. Nature of magnetic excitations in superconducting BaFe1.9Ni0.1As2 , 2012, Nature Physics.
[79] G. Wannier. The Structure of Electronic Excitation Levels in Insulating Crystals , 1937 .
[80] Georges,et al. Numerical solution of the d= , 1992, Physical review letters.
[81] Matthias Troyer,et al. Continuous-time solver for quantum impurity models. , 2005, Physical review letters.
[82] Mark Jarrell,et al. Bayesian inference and the analytic continuation of imaginary-time quantum Monte Carlo data , 1996 .
[83] A. I. Lichtenstein,et al. Frequency-dependent local interactions and low-energy effective models from electronic structure calculations , 2004 .
[84] G. Kotliar,et al. Spectral density functionals for electronic structure calculations , 2001, cond-mat/0106308.
[85] G. Kotliar,et al. Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors , 2010, 1005.0885.
[86] T. Kajitani,et al. X-ray and neutron single-crystal diffraction study on La1.92Sr0.08CuO4−y , 1990 .
[87] Gabriel Kotliar,et al. Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory , 2004 .
[88] D. Sarma,et al. Spectroscopic investigations of the electronic structure and metal-insulator transitions in a Mott-Hubbard system La 1 − x Ca x VO 3 , 2000 .
[89] W. Pickett,et al. Electronic correlation and transport properties of nuclear fuel materials , 2010, 1012.2412.
[90] G. Kotliar,et al. Valence fluctuations and quasiparticle multiplets in plutonium chalcogenides and pnictides , 2009, 0909.4586.
[91] B. Scott,et al. Electronic structure and correlation effects in PuCoIn5 as compared to PuCoGa5 , 2011, 1106.4314.