Density functional theory study of theα−γphase transition in cerium: Role of electron correlation andf-orbital localization-Reference-Cited by-同舟云学术

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Density functional theory study of theα−γphase transition in cerium: Role of electron correlation andf-orbital localization

Published:2016-02-29 Issue:7 Volume:93 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Casadei Marco,Ren Xinguo,Rinke Patrick,Rubio Angel,Scheffler Matthias

Funder

Suomen Akatemia

European Research Council

Ministerio de Economía y Competitividad

Euskal Herriko Unibertsitatea

Seventh Framework Programme

European Cooperation in Science and Technology

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.93.075153/fulltext

Reference149 articles.

1. Total-energy local-density studies of theα-γphase transition in Ce

2. Orbital polarization in narrow-band systems: Application to volume collapses in light lanthanides

3. Electronic properties off-electron metals using the generalized gradient approximation

4. α-γ transition in Ce from temperature-dependent band-structure calculations

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1. Revisiting the effect of shear stress on the γ→α phase transition of cerium under shock loading;Mechanics of Materials;2023-09

2. Preferential nucleation of (O, Y/La/Ce/Hf)-core nano-clusters in multi-element micro-alloyed ferritic alloys: A first-principles study;Journal of Applied Physics;2023-08-17

3. Comparative study of first-principles approaches for effective Coulomb interaction strength Ueff between localized f-electrons: Lanthanide metals as an example;The Journal of Chemical Physics;2023-02-24

4. Evidence of electron correlation and weak bulk plasmon in SrMoO₃;Journal of Physics: Condensed Matter;2023-01-11

5. Pressure-induced structural phase transitions of zirconium: an ab initio study based on statistical ensemble theory;Journal of Physics: Condensed Matter;2022-10-28

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