4 papers
Revealing Charge Transfer in Defect-Engineered 4H-TaS
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…
Nanoscale Modulation of Flat Bands via Controllable Charge-Density-Waves Defects in 4Hb-TaS2
Wooin Yang, Siavash Karbasizadeh, Hoyeon Jeon +7
Electron correlation is a main driver of exotic quantum phases and their interplay. The 4Hb-TaS2 system, possessing intrinsic heterostructure of 1T- and 1H-TaS2 monolayers, offers…
Intrinsic defects and 4d/5d transition metal defects in CrO: pathways to enhance the Néel temperature
Xuecong Wang, Sai Mu
First-principles calculations are employed to explore avenues to increase the Néel temperature () of the magnetoelectric antiferromagnet CrO through doping.…
Tuning of altermagnetism by strain
M. Khodas, Sai Mu, I. I. Mazin +1
For all collinear altermagnets, we sort out piezomagnetic free-energy invariants allowed in the nonrelativistic limit and relativistic piezomagnetic invariants bilinear in the Néel…