C Cheng et al 1988 J. Phys. C: Solid State Phys. 21 1049 doi:10.1088/0022-3719/21/6/012
Inter-layer interactions and the origin of SiC polytypes
C Cheng, R J Needs and V Heine
Show affiliationsThe authors investigate, up to the fourth-nearest neighbour, the interaction energies J1 to J4 between SiC double layers by calculating the total energies of five SiC polytypes with norm-conserving pseudopotentials. They find J1=1.89 mod J2 mod with J2 negative. This is very close to the multi-phase degeneracy point J1=2 mod J2 mod in the ANNNI model at T=0 where an infinite number of polytypes are degenerate. The third-(J3) and fourth-(J4) neighbour interactions turn out to be very small but they stabilise the phase (3) (in Zhdanov notation) which has the lowest energy of those considered. The splitting of the multi-phase degeneracy and the origin of polytypes as possible equilibrium phases are discussed.
- PACS
-
71.15.Nc Total energy and cohesive energy calculations
- Subjects
- Dates
-
Issue 6 (29 February 1988)
-
Inter-layer interactions and the origin of SiC polytypes
C Cheng et al 1988 J. Phys. C: Solid State Phys. 21 1049
-
Atomic relaxation in silicon carbide polytypes
C Cheng et al 1990 J. Phys.: Condens. Matter 2 5115
-
Extreme mass ratio inspirals: LISA's unique probe of black hole gravity
Kostas Glampedakis 2005 Class. Quantum Grav. 22 S605
-
Fractal scale-free networks resistant to disease spread
Zhongzhi Zhang et al J. Stat. Mech. (2008) P09008
-
Solid 7Li-NMR and in situ XRD studies of the insertion reaction of lithium with tin oxide and tin-based amorphous composite oxide
Kazuhiko Furuya et al 2001 J. Phys.: Condens. Matter 13 3519
-
Band structure of absorptive photonic crystals
A Tip et al 2000 J. Phys. A: Math. Gen. 33 6223
-
Golden gaskets: variations on the Sierpiński sieve
Dave Broomhead et al 2004 Nonlinearity 17 1455
-
Solitary waves on FPU lattices: II. Linear implies nonlinear stability
G Friesecke and R L Pego 2002 Nonlinearity 15 1343
-
Solitary waves on Fermi–Pasta–Ulam lattices: IV. Proof of stability at low energy
G Friesecke and R L Pego 2004 Nonlinearity 17 229
-
Solitary waves on Fermi–Pasta–Ulam lattices: III. Howland-type Floquet theory
G Friesecke and R L Pego 2004 Nonlinearity 17 207
Users also read
What's this?- Carrier dynamics in InAs quantum dots embedded in InGaAs/GaAs multi quantum well structures
- Indirectly driven targets for inertial confinement fusion
- Magnetic polarization of spacer Pd layer and magnetic properties of Co/Pd multilayers
Related review articles
What's this?-
methods in electronic structure calculations
- Calculation of dispersion energies
- Correlation effects in transition metals and their alloys studied using the fully self-consistent KKR-based LSDA + DMFT scheme