Lightwave electronics in condensed matter
Key properties of quantum materials stem from dynamic interaction chains that connect
stable electronic quasiparticles through short-lived coherences, which are difficult to control …
stable electronic quasiparticles through short-lived coherences, which are difficult to control …
Maximally localized Wannier functions: Theory and applications
The electronic ground state of a periodic system is usually described in terms of extended
Bloch orbitals, but an alternative representation in terms of localized “Wannier functions” …
Bloch orbitals, but an alternative representation in terms of localized “Wannier functions” …
[图书][B] Full-Potential Electronic Structure Method: energy and force calculations with density functional and dynamical mean field theory
This is a book describing electronic structure theory and application within the framework of
a methodology implemented in the computer code RSPt. In 1986, when the code that was to …
a methodology implemented in the computer code RSPt. In 1986, when the code that was to …
Screened hybrid functional applied to 33 transition-metal perovskites LaO ( = Sc–Cu): Influence of the exchange mixing parameter on the structural …
J He, C Franchini - Physical Review B—Condensed Matter and Materials …, 2012 - APS
We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid density
functional scheme applied to the perovskite family La MO 3 (M= Sc–Cu) and discuss the role …
functional scheme applied to the perovskite family La MO 3 (M= Sc–Cu) and discuss the role …
Towards near-term quantum simulation of materials
Determining the ground and excited state properties of materials is considered one of the
most promising applications of quantum computers. On near-term hardware, the limiting …
most promising applications of quantum computers. On near-term hardware, the limiting …
Persistence of Ferroelectricity in through the Insulator-Metal Transition
T Kolodiazhnyi, M Tachibana, H Kawaji, J Hwang… - Physical review …, 2010 - APS
The ferroelectric BaTiO 3 is a band-gap insulator. Itinerant electrons can be introduced in
this material by doping, for example, with oxygen vacancies. Above a critical electron …
this material by doping, for example, with oxygen vacancies. Above a critical electron …
The Hubbard dimer: a density functional case study of a many-body problem
This review explains the relationship between density functional theory and strongly
correlated models using the simplest possible example, the two-site Hubbard model. The …
correlated models using the simplest possible example, the two-site Hubbard model. The …
Electronic structure calculation by first principles for strongly correlated electron systems
M Imada, T Miyake - Journal of the Physical Society of Japan, 2010 - journals.jps.jp
Recent trends of ab initio studies and progress in methodologies for electronic structure
calculations of strongly correlated electron systems are discussed. The interest for …
calculations of strongly correlated electron systems are discussed. The interest for …
Maximally localized Wannier functions in LaMnO3 within PBE+ U, hybrid functionals and partially self-consistent GW: an efficient route to construct ab initio tight …
C Franchini, R Kováčik, M Marsman… - Journal of Physics …, 2012 - iopscience.iop.org
Using the newly developed VASP2WANNIER90 interface we have constructed maximally
localized Wannier functions (MLWFs) for the eg states of the prototypical Jahn–Teller …
localized Wannier functions (MLWFs) for the eg states of the prototypical Jahn–Teller …
Strength of effective Coulomb interaction in two-dimensional transition-metal halides and (, V, Cr, Mn, Fe, Co, Ni; , Br, I)
Y Yekta, H Hadipour, E Şaşıoğlu, C Friedrich… - Physical Review …, 2021 - APS
We calculate the strength of the effective on-site Coulomb interaction (Hubbard U) in two-
dimensional transition-metal (TM) dihalides MX 2 and trihalides MX 3 (M= Ti, V, Cr, Mn, Fe …
dimensional transition-metal (TM) dihalides MX 2 and trihalides MX 3 (M= Ti, V, Cr, Mn, Fe …