93 citations · 185 across the 8 of their papers we have counts for
8 papers
First-principles electron-phonon interactions with self-consistent Hubbard interaction: an application to transparent conductive oxides
Wooil Yang, Sabyasachi Tiwari, Feliciano Giustino +1
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+) captures well ground electronic structures of a set of solids that are poorly desc…
Reduction of Magnetic Interaction Due to Clustering in Doped Transition-Metal Dichalcogenides: A Case Study of Mn, V, Fe-Doped
Sabyasachi Tiwari, Maarten Van de Put, Bart Soree +2
Using Hubbard U corrected density functional theory calculations, lattice Monte-Carlo, and spin-Monte-Carlo simulations, we investigate the impact of dopant clustering on the magne…
Electron-phonon physics from first principles using the EPW code
Hyungjun Lee, Samuel Poncé, Kyle Bushick +13
EPW is an open-source software for calculations of electron-phonon interactions and related materials properties. The code combines density functional perturba…
Atomistic modeling of spin and electron dynamics in two-dimensional magnets switched by two-dimensional topological insulators
Sabyasachi Tiwari, Maarten L. Van de Put, Kristiaan Temst +2
To design fast memory devices, we need material combinations which can facilitate fast read and write operation. We present a heterostructure comprising a two-dimensional (2D) magn…
Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy
Sabyasachi Tiwari, Joren Vanherck, Maarten L. Van de Put +2
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose…
New polymorphic phase and rich phase diagram in the PdSe2-xTex system
Wenhao Liu, Mehrdad Rostami Osanloo, Xiqu Wang +6
We report a combined experimental and theoretical study of the PdSe2-xTex system. With increasing Te fraction, structural evolutions, first from an orthorhombic phase (space group…
Critical behavior of ferromagnets CrI3, CrBr3, CrGeTe3, and anti-ferromagnet FeCl2: a detailed first-principles study
Sabyasachi Tiwari, Maarten L Van de Put, Bart Soree +1
We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Neel tempe…
Theoretical studies of electronic transport in mono- and bi-layer phosphorene: A critical overview
Gautam Gaddemane, William G. Vandenberghe, Maarten L. Van de Put +4
Recent theoretical calculations of the electrical performance of several two-dimensional materials predict a low-field carrier mobility that spans several orde…