135 citations · 593 across the 20 of their papers we have counts for
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Strain Controlled Magnetic and Optical Properties of Monolayer 2H-TaSe
Sugata Chowdhury, Jeffrey R. Simpson, T. L. Einstein +1
First-principles calculations are used to probe the effects of mechanical strain on the magnetic and optical properties of monolayer (ML) 2H-TaSe. A complex dependence of these…
Rutile TiO2 Bulk Structural and Vibrational Properties: A DFT Study on the Importance of Pseudopotentials
Sugata Chowdhury, Nacole King, Winnie Wong-Ng
Using first-principal density functional theory (DFT) we explained the importance of pseudopotential for decribing the electronic and vibrational properties of rutile TiO2 (R-TiO2)…
Prediction of Weyl semimetal, AFM topological insulator, nodal line semimetal, and Chern insulator phases in Bi2MnSe4
Sugata Chowdhury, Kevin F. Garrity, Francesca Tavazza
Three dimensional materials with strong spin-orbit coupling and magnetic interactions represent an opportunity to realize a variety of rare and potentially useful topological phase…
Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
Kamal Choudhary, Qin Zhang, Andrew C. E. Reid +6
We perform high-throughput density functional theory (DFT) calculations for optoelectronic properties (electronic bandgap and frequency dependent dielectric function) using the Opt…