WitrynaAn account is given of the main steps that led the research group in Rome, to which the author belongs, to the formulation of the charge-density-wave scenario for high- T c superconducting cuprates. The early finding of the generic tendency of strongly correlated electron systems with short range interactions to undergo electron phase … Witryna15 cze 2012 · A local screened Coulomb correction (LSCC) approach in which the on-site Coulomb interaction parameters are determined by the local electron density …
arXiv:2211.16260v1 [cond-mat.mtrl-sci] 29 Nov 2024
WitrynaCoulomb interaction correction is incorporated through a DFT+U scheme [35]. The Coulomb interaction strength parameters U and J are determined by a local screened Coulomb correction (LSCC) approach [36], where the validity of this method has been extensively tested [11, 37−39]. 3 Results and discussions The constructed MnPSe … Witryna21 kwi 2024 · Local screened Coulomb correction approach to strongly correlated d-electron systems J Chem Phys. 2024 Apr 21;150(15):154116. doi: 10 .1063/1. ... cdc growth chart men
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Witryna1 kwi 2024 · Moreover, the onsite Coulomb interaction strength parameter U and Hund's coupling constant J between the d electrons of Co and Nb as well as between the 4f electrons of Sm have been self-consistently evaluated with a so-called local screened Coulomb correction (LSCC) approach proposed by Jiang et al. , which has been … Witryna1 gru 2024 · However, a comparison of the different Coulomb strengths obtained using these approaches and an investigation of the mechanisms behind them are still needed. Taking lanthanide metals as an example, we research the factors that affect the effective Coulomb interaction strength, Ueff , by local screened Coulomb correction … Witryna24 lut 2024 · As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles calculations. Howev... butler armco credit union rates