Quantum size effects in competing charge and spin orderings of dangling bond wires on Si(001)

Physical Review B - Condensed Matter and Materials Physics

Volumn 80, Issue 15, 2009, Pages

  Lee, Ji Young ^a   Cho, Jun Hyung ^a   Zhang, Zhenyu ^b,c,d  

^a Hanyang University   (South Korea)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF TENNESSEE   (United States)

^d UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 72449142217     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.155329     Document Type: Article

References (21)

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14. Using the 2×10 unit-cell calculations with the plane-wave-basis cutoff of 30 Ry, we found that the energy difference between the NM and AF configurations and the heights of dangling bonds (in Table) change by a few meV/DB and less than a hundredth of angstroms, respectively.
15. The exchange coupling constant J for the DB- n wire can be evaluated by J= EFM-AF / (n-1), where EFM-AF is the energy difference per unit cell between the FM and AF configurations. For DB-, n=2.
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17. The buckling patterns of DUD, DUDUD, and DUDUDUD in DB-3, DB-5, and DB-7 are less stable than UDU, UDUDU, and UDUDUDU by 9, 5, 3 meV/DB, respectively.
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