Geometric and Electronic Properties of Li2GeO3

The 3D ternary Li2GeO3 compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The essential properties are fully explored through the first-princip...

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Bibliographic Details
Main Authors: Vo Khuong Dien, Nguyen Thi Han, Thi Dieu Hien Nguyen, Thi My Duyen Huynh, Hai Duong Pham, Ming-Fa Lin
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-09-01
Series:Frontiers in Materials
Subjects:
DFT
Online Access:https://www.frontiersin.org/article/10.3389/fmats.2020.00288/full