Sökning: id:"swepub:oai:DiVA.org:kth-10324" >
First Principles St...
First Principles Study on the Geometric and Electronic Structures of the FeO/Pt(111) Surface
-
- Zhang, Wenhua (författare)
- KTH,Teoretisk kemi
-
- Li, Zhenyu (författare)
- KTH,Teoretisk kemi
-
- Luo, Yi (författare)
- KTH,Teoretisk kemi
-
visa fler...
-
Yang, Jinlong (författare)
-
visa färre...
-
(creator_code:org_t)
- 2009-04-21
- 2009
- Engelska.
-
Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 113:19, s. 8302-8305
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- The geometric, electronic, and magnetic properties of the FeO monolayer on a Pt(111) surface are investigated by first principles calculations. Generally, antiferromagnetic (AFM) structures are more stable than that of the ferromagnetic one. On the basis of a specific AFM structure, the long puzzling scanning tunneling microscopy (STM) experimental observations can be well explained. In this AFM model, the Fe-O layer distance at the fee region is larger than the hcp region, in contrast to previous theoretical results. The STM images at the field-emission regime are explained by local surface potential.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Nyckelord
- initio molecular-dynamics
- scanning-tunneling-microscopy
- augmented-wave method
- ultrathin films
- nickel-oxide
- monolayer
- pt(111)
- transition
- nial(110)
- mechanism
- Chemistry
- Kemi
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas