DETERMINATION OF EMPIRICAL PARAMETERS OF INTER-IONIC POTENTIALS FOR LITHIUM NIOB ATE | Zendy

FENG SHAO-XIN | Zendy; Baohui Li | Zendy; JIN QING-HUA | Zendy; Zhenya Guo | Zendy; DING DA-TONG | Zendy

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DETERMINATION OF EMPIRICAL PARAMETERS OF INTER-IONIC POTENTIALS FOR LITHIUM NIOB ATE

Author(s) -

FENG SHAO-XIN,

Baohui Li,

JIN QING-HUA,

Zhenya Guo,

DING DA-TONG

Publication year - 2000

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.49.2433

Subject(s) - ionic bonding , lithium (medication) , lithium niobate , covalent bond , materials science , character (mathematics) , bending , ferroelectricity , shell (structure) , molecular physics , thermodynamics , ion , physics , composite material , optoelectronics , quantum mechanics , mathematics , geometry , dielectric , medicine , endocrinology

As a kind of important ferroelectric materials, lithium niobate is studied using shell model. The inter-ionic potential parameters and the shell model parameter s are determined by empirical parameterization. Three-body bond bending terms is used to model the directional character of covalent bonds. Employment of relaxe d fitting method makes our result better than the old one.

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