Zobrazeno 1 - 10
of 716
pro vyhledávání: '"Alex Zunger"'
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-8 (2024)
Abstract Transition metal d-electron oxides with an odd number of electrons per unit cell are expected to form metals with partially occupied energy bands, but exhibit in fact a range of behaviors, being either insulators, or metals, or having insula
Externí odkaz:
https://doaj.org/article/97552b1c383345d39c9e3e9fd69fa10a
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-10 (2023)
Abstract Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such ‘apparent effects’, ‘hidden effect X’ refers to the general condition where the nominal global system symmetry would disallow the
Externí odkaz:
https://doaj.org/article/ccf598511d6d4749ac7c50d082f7b6c1
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
It is often stated that first principles studies of transition metal oxides require dynamically correlated methods to correctly produce gap formation, magnetism and structural distortions. Varignon et al. show instead that static correlations are suf
Externí odkaz:
https://doaj.org/article/edf6227bb8c940acb12c29239ecc61f8
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
The Dresselhaus and Rashba effects have traditionally been expected only in non-centrosymmetric systems but recent work has shown that they can exist in some centrosymmetric materials. Here the authors show that the so-called hidden Rashba effect ori
Externí odkaz:
https://doaj.org/article/5d75239ac7584779b1bfb4dae0a07e69
Autor:
Oktay Aktas, Moussa Kangama, Gan Linyu, Gustau Catalan, Xiangdong Ding, Alex Zunger, Ekhard K. H. Salje
Publikováno v:
Physical Review Research, Vol 3, Iss 4, p 043221 (2021)
Compound phases often display properties that are symmetry forbidden relative to their nominal, average crystallographic symmetry, even if extrinsic reasons (defects, strain, or imperfections) are not apparent. Specifically, breaking the macroscopic
Externí odkaz:
https://doaj.org/article/e8172b7a726744528e71278f068bf7e5
Publikováno v:
Physical Review Research, Vol 1, Iss 3, p 033131 (2019)
The Jahn-Teller distortion that can remove electronic degeneracies in partially occupied states and results in systematic atomic displacements is a common underlying feature to many of the intriguing phenomena observed in 3d perovskites, encompassing
Externí odkaz:
https://doaj.org/article/362a062a2cca4c4e98109484c8031679
Publikováno v:
APL Materials, Vol 3, Iss 8, Pp 080702-080702-8 (2015)
One of the grand challenges facing materials-by-design approaches for complex oxide deployment in electronic devices is how to balance transformative first-principles based predictions with experimental feasibility. Here, we briefly review the functi
Externí odkaz:
https://doaj.org/article/9132d40a8a6646819e06a8d6d73397f8
Autor:
Qihang Liu, Alex Zunger
Publikováno v:
Physical Review X, Vol 7, Iss 2, p 021019 (2017)
We show that the previously predicted “cubic Dirac fermion,” composed of six conventional Weyl fermions including three with left-handed and three with right-handed chirality, is realized in a specific, stable solid state system that has been mad
Externí odkaz:
https://doaj.org/article/fff20a4fcbdf436ba66a34e34057d554
Autor:
Lin‐Ding Yuan, Alex Zunger
Publikováno v:
Advanced Materials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c7202997889bca7b19a4fd00aac647d8
https://doi.org/10.1002/adma.202211966
https://doi.org/10.1002/adma.202211966
Autor:
Oleksandr I. Malyi, Alex Zunger
Publikováno v:
Physical Review Materials. 7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51e756ad3783840a81cce18ffb3e750c
https://doi.org/10.1103/physrevmaterials.7.044409
https://doi.org/10.1103/physrevmaterials.7.044409