Ferryl (Fe=O) termination of the hematite α-Fe2O3(0001) surface -: art. no. 166101

被引：87

作者：

Lemire, C

Bertarione, S

Zecchina, A

Scarano, D

Chaka, A

Shaikhutdinov, S

Freund, HJ

机构：

[1] Max Planck Soc, Fritz Haber Inst, Dept Chem Phys, D-14195 Berlin, Germany

[2] Univ Turin, Dipartimento Chim, IFM, I-10125 Turin, Italy

[3] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA

来源：

PHYSICAL REVIEW LETTERS | 2005年 / 94卷 / 16期

关键词：

D O I：

10.1103/PhysRevLett.94.166101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Using scanning tunneling microscopy and infrared reflection absorption spectroscopy we have observed that the alpha-Fe2O3(0001) surface exhibits ferryl (Fe=O) groups, which may coexist with domains of the Fe-terminated surface. We therefore fully support ab initio calculations recently reported in the literature [W. Bergmeyer, H. Schweiger, and E. Wimmer, Phys. Rev. B 69, 195409 (2004)]. The close similarity to the results on the (0001) surfaces of Cr2O3 and V2O3 strongly suggests that the M=O termination under certain oxygen pressure conditions is the most stable for the close-packed surfaces of transition metal oxides with the corundum structure.

引用

页数：4

共 24 条

[1]

[Anonymous], 1984, INFRARED SPECTROSCOP

[2] Ab initio thermodynamics of oxide surfaces:: O2 on Fe2O3(0001) -: art. no. 195409 [J].

Bergermayer, W ;

Schweiger, H ;

Wimmer, E .

PHYSICAL REVIEW B, 2004, 69 (19) :195409-1

[3] Fe termination for α-Fe2O3(0001) as grown by oxygen-plasma-assisted molecular beam epitaxy [J].

Chambers, SA ;

Yi, SI .

SURFACE SCIENCE, 1999, 439 (1-3) :L785-L791

[4] AN ALL-ELECTRON NUMERICAL-METHOD FOR SOLVING THE LOCAL DENSITY FUNCTIONAL FOR POLYATOMIC-MOLECULES [J].

DELLEY, B .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (01) :508-517

[5] From molecules to solids with the DMol3 approach [J].

Delley, B .

JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18) :7756-7764

[6] Adsorption on a polar oxide surface: O-2, C2H4 and Na on Cr2O3(0001)/Cr(110) [J].

Dillmann, B ;

Rohr, F ;

Seiferth, O ;

Klivenyi, G ;

Bender, M ;

Homann, K ;

Yakovkin, IN ;

Ehrlich, D ;

Baumer, M ;

Kuhlenbeck, H ;

Freund, HJ .

FARADAY DISCUSSIONS, 1996, 105 :295-315

[7]

DILLMANN B, 1996, THESIS RUHR U

[8] V2O3(0001) on Au(111) and W(110):: growth, termination and electronic structure [J].

Dupuis, AC ;

Abu Haija, M ;

Richter, B ;

Kuhlenbeck, H ;

Freund, HJ .

SURFACE SCIENCE, 2003, 539 (1-3) :99-112

[9] HREELS AND LEED STUDIES ON CU DEPOSITED ON 1X1 RECONSTRUCTED ALPHA-FE2O3(0001) SURFACES [J].

GUO, QL ;

MOLLER, PJ .

SURFACE SCIENCE, 1995, 340 (03) :L999-L1004

[10] Insights into the (1x1)-to-(2x1) phase transition of the α-Fe2O3(012) surface using EELS, LEED and water TPD [J].

Henderson, MA .

SURFACE SCIENCE, 2002, 515 (01) :253-262

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