M. Yu

发表

Geometric and electronic structures of graphitic-like and tubular silicon carbides:Ab-initiostudies

C. Jayanthi, Shi‐yu Wu, M. Yu, 2010 .

Strain relaxation mechanisms and local structural changes in Si 1 − x Ge x alloys

David Alan Drabold, C. Jayanthi, S. Wu, 2000, cond-mat/0012220.

Enhanced radiative transition inSin David Alan Drabold, C. Jayanthi, S. Y. Wu, 2003, Physical Review B.

Enhanced radiative transition inSinGemnanoclusters

David Alan Drabold, C. Jayanthi, S. Wu, 2003, cond-mat/0304025.

Covalent contributions to bonding in group 12 dimers M2 (Mn = Zn, Cd, Hg)

M. Dolg, M. Yu, 1997 .

Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures.

C. Jayanthi, S. Wu, M. Yu, 2015, The Journal of chemical physics.

The first-principles study of structural and electronic properties of two-dimensional SiC/GeC lateral polar heterostructures

M. Yu, S. A. R. Alharbi, Kazi Jannatul Tasnim, 2022, Journal of Applied Physics.

Size-, shape-, and orientation-dependent properties of SiC nanowires of selected bulk polytypes

C. Jayanthi, M. Yu, S. Wu, 2013 .

Shedding light on the self-assembly of stable SiC based cage nanostructures: A comprehensive molecular dynamics study

C. Jayanthi, S. Wu, Zihua Xin, 2014 .

Density dependence of the structural and electronic properties of amorphous GaN

David Alan Drabold, M. Yu, 1998 .

An incremental approach for correlation contributions to the structural and cohesive properties of polymers. Coupled-cluster study of trans-polyacetylene

M. Dolg, Ming Yu, S. Kalvoda, 1997 .

A self-consistent and environment-dependent Hamiltonian for large-scale simulations of complex nanostructures

C. Jayanthi, Shi‐yu Wu, Ming Yu, 2009 .

Structural, phononic and electronic properties of Ge-doped γ-graphynes: A first-principles study

Junxian Liu, Zihua Xin, M. Yu, 2017 .

Coherent treatment of the self-consistency and the environment-dependency in a semi-empirical Hamiltonian: Applications to bulk silicon, silicon surfaces, and silicon clusters

C. Jayanthi, Shi‐yu Wu, M. Yu, 2006 .

Initial stage of growth of single-walled carbon nanotubes: modeling and simulations

C. Jayanthi, S. Wu, I. Chaudhuri, 2007, Journal of physics. Condensed matter : an Institute of Physics journal.

The electronic structure studies of hybrid h-BNC sheets based on a semi-empirical Hamiltonian

C. Jayanthi, C. Kah, M. Yu, 2021, Materials Today Communications.

Tailoring the Energy Gap of Hexagonal Boron Nitride Sheets Embedded with Carbon Domains of Different Shapes and Sizes

C. Jayanthi, Ming Yu, C. Kah, 2017, 2001.02276.

The structural stability and the strain-induced electronic properties of α-Si1C7-graphyne like monolayer

Junxian Liu, Guo-Hong Yang, Lijun Tian, 2017 .

Modeling Compact Boron Clusters with the Next Generation of Environment-Dependent Semi-Empirical Hamiltonian

C. Jayanthi, S. Wu, M. Yu, 2014, 1408.4931.

The Self-Consistent and Environment-Dependent Hamiltonian and Its Application to Carbon Nanoparticles

C. Jayanthi, W. Tian, Shi‐yu Wu, 2009 .

Bonding Nature, Structural Optimization, and Energetics studies of SiC Graphitic-Like layer Structures and Single/Double Walled Nanotubes

C. Jayanthi, S. Wu, M. Yu, 2009, 0901.3567.

First-principle prediction of the existence of C64-graphyne and (BN)64

Junxian Liu, M. Yu, Zihua Xin, 2019, Solid State Communications.

Structural and electronic properties of SimCn graphyne-like monolayers

Lijun Tian, Zihua Xin, M. Yu, 2015 .

Geometric and electronic structures of graphitic-like and tubular silicon carbides:Ab-initiostudies

C. Jayanthi, Shi‐yu Wu, M. Yu, 2009, 0901.3567.