11 citations · 16 across the 11 of their papers we have counts for
11 papers
A DFT and Machine Learning-Assisted Study on the Lattice Thermal Conductivity of LiCdSb for Thermoelectric Applications
R. Zosiamliana, Lalhriat Zuala, N. T. Tien +3
By using first-principles density functional theory (DFT) and the Boltzmann transport equation, we have calculated the corresponding electronic and thermoelectric properties of LiC…
Efficient molecular dynamics simulation of 2D penta-silicene materials using machine learning potentials
Le Huu Nghia, Pham Thi Bich Thao, Truong Do Anh Kha +2
Machine Learning Interatomic Potentials (MLIPs) are a modern computational method that allows achieving near-quantum mechanical accuracy (DFT) while still describing large-scale sy…
Symmetry-Driven Valleytronics in Single-Layer Tin Chalcogenides
Vo Khuong Dien, Pham Thi Bich Thao, Nguyen Thi Han +1
The concept of valleytronics has recently gained considerable research attention due to its intriguing physical phenomena and practical applications in optoelectronics and quantum…
Unlocking the Potential of GeS Monolayer: Strain-Enabled Control of Electronic Transports and Exciton Radiative Lifetimes
Vo Khuong Dien, Pham Thi Bich Thao, Nguyen Thi Han +4
Monolayer germanium sulfide is gaining significant attention for its exceptional anisotropic electronic conductance, notable excitonic effects, and wide range of potential applicat…
From hexagonal to rocksalt structure: A computational study of Gallium Selenide under hydrostatic pressure
Vo Khuong Dien
This article discusses the pressure-induced structural phase transition and related phonon, electronic and optical properties of hexagonal ε-GaSe using first-principles calculation…
Strain Engineering on the Excitonic Properties of Monolayer GaSe
Vo Khuong Dien, Nguyen Thi Han, Wei-Bang Li +2
This paper investigates strain effects on the electronic and optical properties of monolayer GaSe using first-principles calculations. The deformation significantly alters energy d…
Spin-dependent optical excitations in LiFeO2
Vo Khuong Dien, Nguyen Thi Han, Wu-Pei Su +1
The three-dimensional ternary LiFeO2 compound presents various unusual essential properties. The main features are thoroughly explored by the density functional and many-body pertu…
Excitonic Effects in the Optical Spectra of Lithium metasilicate (Li2SiO3)
Nguyen Thi Han, Vo Khuong Dien, Ming-Fa Lin
The Li2SiO3 compound, a ternary electrolyte compound of Lithium-ion based batteries, exhibits unique geometric and band structures, an atom-dominated energy spectrum, charge densit…
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…
First-principles studies of electronic properties in Lithium metasilicate (Li2SiO3)
Nguyen Thi Han, Vo Khuong Dien, Ngoc Thanh Thuy Tran +3
Lithium metasilicate (Li2SiO3) has attracted considerable interest as a promising electrolyte material for potential use in lithium batteries. However, its electronic properties ar…