arXiv subjects

Xiaoguang Li

Publications and source records attributed to Xiaoguang Li.

98 records · Page 6Linked to original sources

arXiv2014

The examination of stable charge states of vacancies in Cu2ZnSnS4

The stable charge states of vacancies in the solar cell absorber material Cu2ZnSnS4 are investigated using Kohn-Sham (KS) defect-induced single particle levels analysis by concerning the screened Coulomb hybrid functional. We found out that the Cu, Zn and S vacancies (denoted by VCu, VZn, VS) do not induce single particle defect levels in the vicinity of the band gap thus each of them has only one stable charge state corresponding to the fully occupied valence band VCu1-, VZn2- and VS0, respectively (and therefore cannot account for any defect transition energy levels). The Sn vacancy (VSn) has three stable charge states VSn2-, VSn3- and VSn4-, which may account for two charge transition energy levels. By comparing with previous charge transition energy levels studies, our results indicate that the examination of stable charge states is a necessary and important step which should be done before charge transition energy levels calculations.

cond-mat.mtrl-sci↗

arXiv2014

Finding Transition Pathways on Manifolds

We consider noise-induced transition paths in randomly perturbed dynami- cal systems on a smooth manifold. The classical Freidlin-Wentzell large devia- tion theory in Euclidean spaces is generalized and new forms of action functionals are derived in the spaces of functions and the space of curves to accommodate the intrinsic constraints associated with the manifold. Numerical meth- ods are proposed to compute the minimum action paths for the systems with constraints. The examples of conformational transition paths for a single and double rod molecules arising in polymer science are numerically investigated.

math-ph↗

arXiv2014

Proximity Effects in Topological Insulator Heterostructures

Topological insulators (TIs) are bulk insulators that possess robust helical conducting states along their interfaces with conventional insulators. A tremendous research effort has recently been devoted to TI-based heterostructures, in which conventional proximity effects give rise to a series of exotic physical phenomena. This paper reviews our recent works on the potential existence of topological proximity effects at the interface between a topological insulator and a normal insulator or other topologically trivial systems. Using first-principles approaches, we have established the tunability of the vertical location of the topological helical state via intriguing dual-proximity effects. To further elucidate the control parameters of this effect, we have used the graphene-based heterostructures as prototypical systems to reveal a more complete phase diagram. On the application side of the topological helical states, we have presented a catalysis example, where the topological helical state plays an essential role in facilitating surface reactions by serving as an effective electron bath. These discoveries lay the foundation for accurate manipulation of the real space properties of the topological helical state in TI-based heterostructures and pave the way for realization of the salient functionality of topological insulators in future device applications.

cond-mat.mtrl-sci↗

arXiv2013

Topological Proximity Effects in Graphene Nanoribbon Heterostructures

Topological insulators (TI) are bulk insulators that possess robust chiral conducting states along their interfaces with normal insulators. A tremendous research effort has recently been devoted to TI-based heterostructures, in which conventional proximity effects give rise to many exotic physical phenomena. Here we establish the potential existence of "topological proximity effects" at the interface of a topological graphene nanoribbon (GNR) and a normal GNR. Specifically, we show that the location of the topological edge states exhibits versatile tunability as a function of the interface orientation, as well as the strengths of the interface coupling and spin-orbit coupling in the normal GNR. For zigzag and bearded GNRs, the topological edge state can be tuned to be either at the interface or outer edge of the normal ribbon. For armchair GNR, the potential location of the topological edge state can be further enriched to be at the edge of or within the normal ribbon, at the interface, or diving into the topological GNR. We also discuss potential experimental realization of the predicted topological proximity effects, which may pave the way for integrating the salient functionality of TI and graphene in future device applications.

cond-mat.mes-hall↗

arXiv2013

Colossal Magnetoresistance Manganites and Related Prototype Devices

We review colossal magnetoresistance in single phase manganites, as related to the field sensitive spin charge interactions and phase separation; the rectifying property and negative/positive magnetoresistance in manganite/Nb:SrTiO3 pn junctions in relation to the special interface electronic structure; magnetoelectric coupling in manganite/ferroelectric structures that takes advantage of strain, carrier density, and magnetic field sensitivity; tunneling magnetoresistance in tunnel junctions with dielectric, ferroelectric, and organic semiconductor spacers using the fully spin polarized nature of manganites; and the effect of particle size on magnetic properties in manganite nanoparticles

cond-mat.str-el↗

arXiv2013

Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects

In integrating topological insulators (TIs) with conventional materials, one crucial issue is how the topological surface states (TSS) will behave in such heterostructures. We use first-principles approaches to establish accurate tunability of the vertical location of the TSS via intriguing dual-proximity effects. By depositing a conventional insulator (CI) overlayer onto a TI substrate (Bi2Se3 or Bi2Te3), we demonstrate that, the TSS can float to the top of the CI film, or stay put at the CI/TI interface, or be pushed down deeper into the otherwise structurally homogeneous TI substrate. These contrasting behaviors imply a rich variety of possible quantum phase transitions in the hybrid systems, dictated by key material-specific properties of the CI. These discoveries lay the foundation for accurate manipulation of the real space properties of TSS in TI heterostructures of diverse technological significance.

cond-mat.mtrl-sci↗

arXiv2012

Transition Path, Quasi-potential Energy Landscape and Stability of Genetic Switches

One of the fundamental cellular processes governed by genetic regulatory networks in cells is the transition among different states under the intrinsic and extrinsic noise. Based on a two-state genetic switching model with positive feedback, we develop a framework to understand the metastability in gene expressions. This framework is comprised of identifying the transition path, reconstructing the global quasi-potential energy landscape, analyzing the uphill and downhill transition paths, etc. It is successfully utilized to investigate the stability of genetic switching models and fluctuation properties in different regimes of gene expression with positive feedback. The quasi-potential energy landscape, which is the rationalized version of Waddington potential, provides a quantitative tool to understand the metastability in more general biological processes with intrinsic noise.

q-bio.MN↗

arXiv2010

Meson Emission Model of Psi to N Nbar m Charmonium Strong Decays

In this paper we consider a sequential "meson emission" mechanism for charmonium decays of the type Psi -> N Nbar m, where Psi is a generic charmonium state, N is a nucleon and m is a light meson. This decay mechanism, which may not be dominant in general, assumes that an NNbar pair is created during charmonium annihilation, and the light meson m is emitted from the outgoing nucleon or antinucleon line. A straightforward generalization of this model can incorporate intermediate N* resonances. We derive Dalitz plot event densities for the cases Psi = eta_c, J/psi, chi_c0, chi_c1} and psi' and m = pi0, f0 and omega (and implicitly, any 0^{-+}, 0^{++} or 1^{--} final light meson). It may be possible to separate the contribution of this decay mechanism to the full decay amplitude through characteristic event densities. For the decay subset Psi -> p pbar pi0 the two model parameters are known, so we are able to predict absolute numerical partial widths for Gamma(Psi -> p pbar pi0). In the specific case J/psi -> p pbar pi0 the predicted partial width and M_{p pi0} event distribution are intriguingly close to experiment. We also consider the possibility of scalar meson and glueball searches in Psi -> p pbar f0. If the meson emission contributions to Psi -> N Nbar m decays can be isolated and quantified, they can be used to estimate meson-nucleon strong couplings {g_NNm}, which are typically poorly known, and are a crucial input in meson exchange models of the NN interaction. The determination of g_NNpi from Jψ-> p pbar pi0 and the (poorly known) g_NNomega and the anomalous "strong magnetic" coupling kappa_{NNomega} from J/psi -> p pbar omega are considered as examples.

hep-ph↗