5 papers
Orbital-hybridization-created optical excitations in Li2GeO3
Vo Khuong Dien, Hai Duong Pham, Ngoc Thanh Thuy Tran +4
Li2GeO3, a ternary electrolyte compound of Li+-based battery, presents the unusual essential properties. The main features are thoroughly explored from the first-principles calcula…
Geometric and Electronic Properties of LiGeO
Vo Khuong Dien, Nguyen Thi Han, Thi Dieu Hien Nguyen +3
The 3D ternary LiGeO compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band struc…
Enrich properties of Li+-based battery anode: Li_4Ti_5O_12
Thi Dieu Hien Nguyen, Hai Duong Pham, Shih-Yang Lin +1
The 3D ternary Li_4Ti_5O_12, the Li+-based battery anode, presents the unusual lattice symmetry (a triclinic crystal), band structure, charge density, and density of states, under…
Diversified properties of carbon substitutions in silicene
Hai-Duong Pham, Shih-Yang Lin, Godfrey Gumbs +2
The theoretical framework, which is built from the first-principles results, is successfully developed for investigating emergent two-dimensional (2D) materials, as it is clearly i…
Diverse quantization phenomena in AA bilayer silicene
Po-Hsin Shih, Thi-Nga Do, Godfrey Gumbs +3
The rich magneto-electronic properties of AA-bottom-top (bt) bilayer silicene are investigated using a generalized tight-binding model. The electronic structure exhibits two pairs…