First-principles calculation for scanning-tunneling-microscopy images of Kr adsorbed on a monolayer graphite surface

被引：16

作者：

Chen, XR ^{[1
]}

Oshiyama, A

Okada, S

机构：

[1] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China

[2] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan

[3] Univ Tsukuba, Inst Mat Sci, Tsukuba, Ibaraki 3058573, Japan

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.67.033408

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have applied first-principles total-energy electronic structure calculations in the local density approximation (LDA) to determine the optimal site for adsorbed Kr atom and its distance from monolayer graphite surface, and to calculate the scanning tunneling microscopy (STM) images of the Kr/graphite system. The results obtained are consistent with the observations. It is demonstrated that the hybridization of C 2p electronic states (pi-electronic states) and Kr 4p and/or 5s electronic states is the main origin of Fermi-level local density of state (LDOS), which makes Kr visible in the STM experiment.

引用

页数：4

共 24 条

[1] 7X7 RECONSTRUCTION ON SI(111) RESOLVED IN REAL SPACE [J].

BINNIG, G ;

ROHRER, H ;

GERBER, C ;

WEIBEL, E .

PHYSICAL REVIEW LETTERS, 1983, 50 (02) :120-123

[2] TUNNELING THROUGH A CONTROLLABLE VACUUM GAP [J].

BINNIG, G ;

ROHRER, H ;

GERBER, C ;

WEIBEL, E .

APPLIED PHYSICS LETTERS, 1982, 40 (02) :178-180

[3] SURFACE STUDIES BY SCANNING TUNNELING MICROSCOPY [J].

BINNING, G ;

ROHRER, H ;

GERBER, C ;

WEIBEL, E .

PHYSICAL REVIEW LETTERS, 1982, 49 (01) :57-61

[4] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[5] STRUCTURAL PHASE-TRANSITION IN EPITAXIAL SOLID KRYPTON MONOLAYERS ON GRAPHITE [J].

CHINN, MD ;

FAIN, SC .

PHYSICAL REVIEW LETTERS, 1977, 39 (03) :146-149

[6] IMAGING XE WITH A LOW-TEMPERATURE SCANNING TUNNELING MICROSCOPE [J].

EIGLER, DM ;

WEISS, PS ;

SCHWEIZER, EK ;

LANG, ND .

PHYSICAL REVIEW LETTERS, 1991, 66 (09) :1189-1192

[7] Physisorbed rare-gas monolayers:: Evidence for domain-wall tilting [J].

Grimm, B ;

Hövel, H ;

Pollmann, M ;

Reihl, B .

PHYSICAL REVIEW LETTERS, 1999, 83 (05) :991-994

[8] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[9] EFFICACIOUS FORM FOR MODEL PSEUDOPOTENTIALS [J].

KLEINMAN, L ;

BYLANDER, DM .

PHYSICAL REVIEW LETTERS, 1982, 48 (20) :1425-1428

[10] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].

KOHN, W ;

SHAM, LJ .

PHYSICAL REVIEW, 1965, 140 (4A) :1133-&

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