Single-layer model of the hexagonal boron nitride nanomesh on the rh(111) surface

被引：137

作者：

Laskowski, Robert ^{[1
]}

Blaha, Peter ^{[1
]}

Gallauner, Thomas ^{[1
]}

Schwarz, Karlheinz ^{[1
]}

机构：

[1] Vienna Univ Technol, Inst Mat Chem, A-1060 Vienna, Austria

来源：

PHYSICAL REVIEW LETTERS | 2007年 / 98卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.98.106802

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

An alternative model of the hexagonal boron nitride (h-BN) on nanomesh on the Rh(111) surface is presented. It explains the observed ultraviolet photoelectron spectroscopy spectra and reproduces experimental STM images introducing, instead of two, only one strongly corrugated layer of h-BN covering the whole Rh surface. In order to optimize the geometry of the BN layer we calculate the forces by density functional theory and analyze the interactions in the system. The final geometry is a result of a competition between BN-metal attraction or repulsion and elastic properties of the isolated h-BN layer. The calculated bonding energy is around 0.33 eV per BN molecule with a corrugation close to 0.55 A.

引用

页数：4

共 21 条

[1] XPD and STM investigation of hexagonal boron nitride on Ni(111) [J].

Auwärter, W ;

Kreutz, TJ ;

Greber, T ;

Osterwalder, J .

SURFACE SCIENCE, 1999, 429 (1-3) :229-236

[2] Synthesis of one monolayer of hexagonal boron nitride on Ni(111) from B-trichloroborazine (ClBNH)3 [J].

Auwärter, W ;

Suter, HU ;

Sachdev, H ;

Greber, T .

CHEMISTRY OF MATERIALS, 2004, 16 (02) :343-345

[3]

BERNER S, ANGEW CHEM INT

[4]

BERNER S, IN PRESS ANGEW CHEM

[5]

Blaha P, 2001, WIEN2K AUGMENTED PLA

[6]

BRAD GB, 2006, PHYS REV B, V68

[7] Surface X-ray diffraction study of boron-nitride nanomesh in air [J].

Bunk, O. ;

Corso, M. ;

Martoccia, D. ;

Herger, R. ;

Willmott, P. R. ;

Patterson, B. D. ;

Osterwalder, J. ;

van der Veen, If ;

Greber, T. .

SURFACE SCIENCE, 2007, 601 (02) :L7-L10

[8] h-BN on Pd(110):: a tunable system for self-assembled nanostructures? [J].

Corso, M ;

Greber, T ;

Osterwalder, J .

SURFACE SCIENCE, 2005, 577 (2-3) :L78-L84

[9] Boron nitride nanomesh [J].

Corso, M ;

Auwärter, W ;

Muntwiler, M ;

Tamai, A ;

Greber, T ;

Osterwalder, J .

SCIENCE, 2004, 303 (5655) :217-220

[10]

GORIACHKO A, IN PRESS LANGMUIR

← 1 2 3 →