Biomedical subjects

Changfeng Chen

Publications and source records attributed to Changfeng Chen.

6 recordsLinked to original sources

PubMed2006

Two-stage rotation mechanism for group-V precursor dissociation on Si(001).

We report ab initio identification of initial dissociation pathways for Sb4 and Bi4 tetramer precursors on Si(001). We reveal a two-stage double piecewise rotation mechanism for the tetramer to ad-dimer conversion involving two distinct pathways: one along the surface dimer row via a rhombus intermediate state and the other across the surface dimer row via a rotated rhombus intermediate state. These two-stage double piecewise rotation processes play a key role in lowering the kinetic barrier by establishing and maintaining energetically favorable bonding between adatoms and substrate atoms. These results provide an excellent account for experimental observations and elucidate their underlying atomistic origin that may offer useful insights for other surface reaction processes.

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PubMed2005

Midgap states in antiferromagnetic Heisenberg chains with a staggered field.

We study low-energy excitations in antiferromagnetic Heisenberg chains with a staggered field which splits the spectrum into a longitudinal and a transverse branch. Bound states are found to exist inside the field induced gap in both branches. They originate from the edge effects and are inherent to spin-chain materials. The sine-Gordon scaling h(2/3)(s)[log(h(s)](1/6) (h(s), the staggered field) provides an accurate description for the gap and midgap energies in the transverse branch for S=1/2 and the midgap energies in both branches for S=3/2 over a wide range of magnetic field; however, it can fit other low-energy excitations only at much lower field. Moreover, the integer-spin S=1 chain displays scaling behavior that does not fit this scaling law. These results reveal intriguing features of magnetic excitations in spin-chain materials that deserve further investigation.

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PubMed2005

Atomistic deformation modes in strong covalent solids.

We report on a first-principles study of the structural deformation modes in diamond, cubic boron nitride (c-BN), and cubic BC2N. We show that (i) the diamond C-C bonds remain strong up to the breaking point, leading to the large and nearly identical shear and tensile strength, (ii) c-BN exhibits a shear failure mode different from that in diamond and a significant softening in the B-N bonds at large tensile strains long before the bond breaking, and (iii) cubic BC2N displays a large disparity between the shear and tensile strength, contrary to the expectation for the hybrid of diamond and c-BN. We examine the microscopic bond-breaking processes to elucidate the atomistic mechanisms for the deformation modes and the implications for material strength.

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PubMed2004

Superhard cubic BC2N compared to diamond.

Recent experiments claimed successful synthesis of cubic boron-carbonitride compounds BC2N with an extreme hardness second only to diamond. In the present Letter, we examine the ideal strength of cubic BC2N using first-principles calculations. Our results reveal that, despite the large elastic parameters, compositional anisotropy and strain dependent bonding character impose limitation on their strength. Consequently, the hardness of the optimal BC2N structure is predicted to be lower than that of cubic BN, the second hardest material known. The measured extreme hardness of BC2N nanocomposites is most likely due to the nanocrystalline size effect and the bonding to the surrounding amorphous carbon matrix. This may prove to be a general rule useful in the quest for new superhard covalent materials.

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PubMed2003

String order in half-integer-spin antiferromagnetic Heisenberg chains.

We derive the extended string order parameter O(S) for antiferromagnetic Heisenberg chains with half-integer spin S in the valence-bond-solid picture. We obtain the analytic power-law scaling of O(S) versus the chain length L and show that O(S) scales at an extremely slow pace that decreases rapidly with growing spin magnitude. Furthermore, accurate numerical calculations show that the power-law scaling sets in only when L exceeds a characteristic length scale l(S) which increases very fast with growing S. Consequently, a pseudo-long-range string order exists in half-integer-spin Heisenberg chains. The implications of this result and its relationship to other topological features such as the end-chain states are discussed.

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PubMed2003

Nonlocal topological order in antiferromagnetic Heisenberg chains.

We demonstrate the existence of nonlocal topological (string) order in half-integer-spin antiferromagnetic Heisenberg chains on macroscopic scale on the basis of analytical scaling analysis and density matrix renormalization group calculations. Strong numerical evidence leads to a conjecture that chains with S = (2m-1)/2 and m (m = integers) belong to the same topological class defined by the topological angle theta/pi = 1/m that plays a role similar to the fictitious gauge field in the fractional quantum Hall effect.

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