Density Functional Theory Study on Spin States of LaCoO3 at Room Temperature

Screened hybrid functional applied to 3d0→3d8transition-metal perovskites LaMO3(M = Sc–Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties

(2012) Jiangang He et al.   PHYSICAL REVIEW B

Role of self-trapping in luminescence andp-type conductivity of wide-band-gap oxides

(2012) J. B. Varley et al.   PHYSICAL REVIEW B

Electronic structure, X-ray absorption, and optical spectroscopy of LaCoO3 in the ground-state and excited-states

(2011) A. Laref et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Magnetic Excitation and Phonon Dispersion in LaCoO3Compound

(2010) Amel Laref et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

A PROBABLE MECHANISM OF SPIN-STATE TRANSITION IN LaCoO3

(2010) JIAN NI et al.   MODERN PHYSICS LETTERS B

Hybrid density-functional calculations of phonons inLaCoO3

(2010) Denis Gryaznov et al.   PHYSICAL REVIEW B

First principles investigation on the band gap of the ground state of

(2010) Chun-Lan Ma et al.   SOLID STATE COMMUNICATIONS

Catalytic combustion of VOCs on non-noble metal catalysts

(2009) W.B. Li et al.   CATALYSIS TODAY

First-principles study for low-spinLaCoO3with a structurally consistent HubbardU

(2009) Han Hsu et al.   PHYSICAL REVIEW B

GGA+Ucalculations of correlated spin excitations inLaCoO3

(2009) Karel Knížek et al.   PHYSICAL REVIEW B

Ab initioenergetics ofLaBO3(001)(B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

(2009) Yueh-Lin Lee et al.   PHYSICAL REVIEW B

Investigation of the spin state of Co inLaCoO3at room temperature:Ab initiocalculations and high-resolution photoemission spectroscopy of single crystals

(2008) S. K. Pandey et al.   PHYSICAL REVIEW B