11 citations · 18 across the 5 of their papers we have counts for
4 papers · 1 filter
Charge-Density-Wave Phase Transitions in Monolayer 1T-TaS2 from Universal Machine Learning Molecular Dynamics
Valentina Nesterova, Tribhuwan Pandey, Tom Berlijn +3
Charge-density-wave (CDW) phases in 1T transition-metal dichalcogenides arise from strong electron-phonon coupling and accompanying lattice instabilities. Capturing their temperatu…
Revealing Charge Transfer in Defect-Engineered 4Hb-TaS2
Siavash Karbasizadeh, Wooin Yang, Wonhee Ko +4
We present a comprehensive first-principles investigation of defects in 4-TaS. In this layered transition metal dichalcogenide, charge transfer between alternating Mott-in…
Quantum Monte Carlo and density functional theory study of strain and magnetism in 2D 1T-VSe with charge density wave states
Daniel Wines, Akram Ibrahim, Nishwanth Gudibandla +18
Two-dimensional (2D) 1T-VSe has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) stat…
A Pathway to Efficient Simulations of Charge Density Waves in Transition Metal Dichalcogenides: A Case Study for TiSe2
Li Yin, Hong Tang, Tom Berlijn +1
Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their po…