Electronic localization and bad-metallicity in pure and electron-doped troilite: A local-density-approximation plus dynamical-mean-field-theory study of FeS for lithium-ion batteries

L. Craco; J. L. B. Faria

doi:10.1063/1.4942843

Electronic localization and bad-metallicity in pure and electron-doped troilite: A local-density-approximation plus dynamical-mean-field-theory study of FeS for lithium-ion batteries

Journal of Applied Physics ◽

10.1063/1.4942843 ◽

2016 ◽

Vol 119 (8) ◽

pp. 085107 ◽

Cited By ~ 8

Author(s):

L. Craco ◽

J. L. B. Faria

Keyword(s):

Field Theory ◽

Lithium Ion Batteries ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Lithium Ion ◽

Dynamical Mean Field Theory ◽

Density Approximation ◽

Electronic Localization

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Origin of large thermopower inLiRh2O4: Calculation of the Seebeck coefficient by the combination of local density approximation and dynamical mean-field theory

Physical Review B ◽

10.1103/physrevb.78.115121 ◽

2008 ◽

Vol 78 (11) ◽

Cited By ~ 43

Author(s):

R. Arita ◽

K. Kuroki ◽

K. Held ◽

A. V. Lukoyanov ◽

S. Skornyakov ◽

...

Keyword(s):

Field Theory ◽

Seebeck Coefficient ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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Thermodynamic and Spectral Properties of Compressed Ce Calculated by the Combination of the Local Density Approximation and Dynamical Mean Field Theory

10.1063/1.1594592 ◽

2003 ◽

Author(s):

A. K. McMahan

Keyword(s):

Field Theory ◽

Local Density Approximation ◽

Spectral Properties ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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Screening of Magnetic Moments in PuAm Alloy: Local Density Approximation and Dynamical Mean Field Theory Study

Physical Review Letters ◽

10.1103/physrevlett.101.126403 ◽

2008 ◽

Vol 101 (12) ◽

Cited By ~ 12

Author(s):

J. H. Shim ◽

K. Haule ◽

S. Savrasov ◽

G. Kotliar

Keyword(s):

Field Theory ◽

Local Density Approximation ◽

Local Density ◽

Magnetic Moments ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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Thermodynamic and spectral properties of compressed Ce calculated using a combined local-density approximation and dynamical mean-field theory

Physical Review B ◽

10.1103/physrevb.67.075108 ◽

2003 ◽

Vol 67 (7) ◽

Cited By ~ 104

Author(s):

A. K. McMahan ◽

K. Held ◽

R. T. Scalettar

Keyword(s):

Field Theory ◽

Local Density Approximation ◽

Spectral Properties ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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Orbital-selective charge dynamics inYTiO3across the magnetic transition: Combined local-density approximation and dynamical mean-field theory

Physical Review B ◽

10.1103/physrevb.76.115128 ◽

2007 ◽

Vol 76 (11) ◽

Cited By ~ 5

Author(s):

L. Craco ◽

S. Leoni ◽

M. S. Laad ◽

H. Rosner

Keyword(s):

Field Theory ◽

Local Density Approximation ◽

Local Density ◽

Magnetic Transition ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation ◽

Charge Dynamics

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Electronic structure ofSrVO3(001)surfaces: A local-density approximation plus dynamical mean-field theory calculation

Physical Review B ◽

10.1103/physrevb.73.245421 ◽

2006 ◽

Vol 73 (24) ◽

Cited By ~ 23

Author(s):

H. Ishida ◽

D. Wortmann ◽

A. Liebsch

Keyword(s):

Field Theory ◽

Electronic Structure ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation ◽

Theory Calculation

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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

Physical Review B ◽

10.1103/physrevb.79.115111 ◽

2009 ◽

Vol 79 (11) ◽

Cited By ~ 72

Author(s):

I. Di Marco ◽

J. Minár ◽

S. Chadov ◽

M. I. Katsnelson ◽

H. Ebert ◽

...

Keyword(s):

Field Theory ◽

Transition Metal ◽

Bulk Modulus ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation ◽

Correlation Effects

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Cerium Volume Collapse: Results from the Merger of Dynamical Mean-Field Theory and Local Density Approximation

Physical Review Letters ◽

10.1103/physrevlett.87.276404 ◽

2001 ◽

Vol 87 (27) ◽

Cited By ~ 152

Author(s):

K. Held ◽

A. K. McMahan ◽

R. T. Scalettar

Keyword(s):

Field Theory ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation ◽

Volume Collapse

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Spectral and Magnetic Properties ofα- andγ-Ce from Dynamical Mean-Field Theory and Local Density Approximation

Physical Review Letters ◽

10.1103/physrevlett.87.276403 ◽

2001 ◽

Vol 87 (27) ◽

Cited By ~ 82

Author(s):

M. B. Zölfl ◽

I. A. Nekrasov ◽

Th. Pruschke ◽

V. I. Anisimov ◽

J. Keller

Keyword(s):

Field Theory ◽

Magnetic Properties ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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Optical weights and waterfalls in doped charge-transfer insulators: A local density approximation and dynamical mean-field theory study ofLa2−xSrxCuO4

Physical Review B ◽

10.1103/physrevb.78.134519 ◽

2008 ◽

Vol 78 (13) ◽

Cited By ~ 57

Author(s):

Cédric Weber ◽

Kristjan Haule ◽

Gabriel Kotliar

Keyword(s):

Field Theory ◽

Charge Transfer ◽

Local Density Approximation ◽

Local Density ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

Density Approximation

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