7 papers
Visualization of Defect Electronic States in Layered Semiconductor CrSBr
Jonathan Brunette, Joost Aretz, Kiyoung Jo +5
Chromium sulfur bromide (CrSBr) is a layered magnetic semiconducting material combining a rich magnetic phase diagram with axis-dependent electronic and optical properties. While d…
Growth-controlled suppression of electrically active defects in CrSBr
Sara R. Tulchinsky, Sergii Grytsiuk, Shen van Hassel +7
In CrSBr, as in many crystalline materials, the type and density of defects are expected to strongly influence material behavior. Identifying the underlying atomic defect configura…
Quantum Monte Carlo assessment of embedding for for strongly correlated defects: interplay between mean-field starting point and interactions
Kevin G. Kleiner, Sonali Joshi, Rohan Joshi +5
Point defects are of interest for many applications, from quantum sensing to modifying bulk properties of materials. Because of their localized orbitals, the electronic states are…
Influence of surface relaxations on scanning probe microscopy images of the charge density wave material 2H-NbSe
Nikhil S. Sivakumar, Joost Aretz, Sebastian Scherb +7
Scanning tunneling microscopy is the method of choice for characterizing charge density waves by imaging the variation in atomic-scale contrast of the surface. Due to the measureme…
Pressure-tuned many-body phases through -K valleytronics in moiré bilayer WSe
Marta Brzezińska, Sergii Grytsiuk, Malte Rösner +2
Recent experiments in twisted bilayer transition-metal dichalcogenides have revealed a variety of strongly correlated phenomena. To theoretically explore their origin, we combine h…
Giant exchange splitting in the electronic structure of A-type 2D antiferromagnet CrSBr
Matthew D. Watson, Swagata Acharya, James E. Nunn +6
We present the evolution of the electronic structure of CrSBr from its antiferromagnetic ground state to the paramagnetic phase above T_N=132 K, in both experiment and theory. Low…