output
19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

Showing 2008Show all

8 papers · 1 filter

cond-mat.mtrl-sci2008★ 37 cited

Origin of the Ising Ferrimagnetism and Spin-Charge Coupling in LuFe2O4

H. J. Xiang, E. J. Kan, Su-Huai Wei +2

The spin ordering and spin-charge coupling in LuFe2O4 were investigated on the basis of density functional calculations and Monte Carlo simulations. The 2:1 ferrimagnetism arises f…

cond-mat.mtrl-sci2008★ 75 cited

Interplay between Jahn-Teller instability, uniaxial magnetism and ferroelectricity in Ca3CoMnO6

Y. Zhang, H. J. Xiang, M. -H. Whangbo

Ca3CoMnO6 is composed of CoMnO6 chains made up of face-sharing CoO6 trigonal prisms and MnO6 octahedra. The structural, magnetic, and ferroelectric properties of this compound were…

cond-mat.mtrl-sci2008★ 54 cited

Enhanced Ferromagnetic Stability in Cu Doped Passivated GaN Nanowires

H. J. Xiang, Su-Huai Wei

Density functional calculations are performed to investigate the room temperature ferromagnetism in GaN:Cu nanowires (NWs). Our results indicate that two Cu dopants are most stable…

cond-mat.mtrl-sci2008★ 63 cited

Highly-reduced Fine-structure splitting in InAs/InP quantum dots offering efficient on-demand 1.55 m entangled photon emitter

Lixin He, Ming Gong, Chuan-Feng Li +2

To generate entangled photon pairs via quantum dots (QDs), the exciton fine structure splitting (FSS) must be comparable to the exciton homogeneous line width. Yet in the (In,Ga)As…

cond-mat.mtrl-sci2008★ 193 cited

Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3

H. J. Xiang, Su-Huai Wei, M. -H. Whangbo +1

The electronic and magnetic properties of TbMnO3 leading to its ferroelectric (FE) polarization were investigated on the basis of relativistic density functional theory (DFT) calcu…

cond-mat.str-el2008★ 107 cited

LDA+DMFT implemented with the pseudopotential plane-wave approach

G. Trimarchi, I. Leonov, N. Binggeli +2

We present a joint implementation of dynamical-mean-field theory (DMFT) with the pseudopotential plane-wave approach, via Wannier functions, for the determination of the electronic…

cond-mat.str-el2008★ 129 cited

Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials

Dm. Korotin, A. V. Kozhevnikov, S. L. Skornyakov +4

Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials.…

cond-mat.mtrl-sci2008★ 166 cited

Origin of the Structural and Magnetic Anomaly of the Layered Compound SrFeO2: A Density Functional Investigation

H. J. Xiang, Su-Huai Wei, M. -H. Whangbo

The structural and magnetic anomaly of the layered compound SrFeO were examined by first principles density functional calculations and Monte Carlo simulations. The down-spin…