Stiff Monatomic Gold Wires with a Spinning Zigzag Geometry

Journal Article · Mon Nov 01 00:00:00 EST 1999 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.83.3884· OSTI ID:690755

Sanchez-Portal, D ^[1]; Artacho, E; Junquera, J; Soler, J M ^[2]; Ordejon, P ^[3]; Garcia, A ^[4]

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1. Department of Physics and Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States)
2. Departamento de Fisica de la Materia Condensada and Instituto Nicolas Cabrera, C-III, Universidad Autonoma, E-28049 Madrid (Spain)
3. Institut de Ciencia de Materials de Barcelona (CSIC), Campus de la U.A.B., E-08193 Bellaterra, Barcelona (Spain)
4. Departamento de Fisica Aplicada II, Universidad del Pais Vasco, Apdo. 644, E-48080 Bilbao (Spain)

Using first-principles density-functional calculations, gold monatomic wires are found to exhibit a zigzag shape which remains under tension, becoming linear just before breaking. At room temperature they are found to spin, which explains the extremely long apparent interatomic distances shown by electron microscopy. The zigzag structure is stable if the tension is relieved, the wire holding its chainlike shape even as a free-standing cluster. This unexpected metallic-wire stiffness stems from the transverse quantization in the wire, as shown in a simple free electron model. {copyright} {ital 1999} {ital The American Physical Society }

• OSTI ID: 690755
• Journal Information: Physical Review Letters, Vol. 83, Issue 19; Other Information: PBD: Nov 1999
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
GOLD
TRANSPORT THEORY
WIRES
ATOMS
SHAPE
CHAINS
SPIN
STABILITY
STRUCTURE FACTORS