800 citations · 1.1k across the 10 of their papers we have counts for
11 papers
Transition metal impurities in Silicon: Computational search for a semiconductor qubit
Cheng-Wei Lee, Meenakshi Singh, Adele Tamboli +1
Semiconductors offer a promising platform for physical implementation of qubits, but their broad adoption is presently hindered by limited scalability and/or very low operating tem…
Computational Fermi level engineering and doping-type conversion of Ga2O3 via three-step synthesis process
Anuj Goyal, Andriy Zakutayev, Vladan Stevanović +1
Ga2O3 is being actively explored for high-power and high-temperature electronics, deep-ultraviolet optoelectronics, and other applications. Efficient n-type doping of Ga2O3 has bee…
Search and Structural Featurization of Magnetically Frustrated Kagomé Lattices
Vanessa Meschke, Prashun Gorai, Vladan Stevanović +1
We have searched nearly 40,000 inorganic solids in the Inorganic Crystal Structural Database to identify compounds containing a transition metal or rare earth kagomé sublattice, a…
Minimization of atomic displacements as a guiding principle of the martensitic phase transformation
Félix Therrien, Vladan Stevanović
We present a unifying description for the martensitic transformation of steel that accounts for important experimentally observable features of the transformation namely, the Neuma…
Ionic vs. van der Waals Layered Materials: Identification and Comparison of Elastic Anisotropy
Robert McKinney, Prashun Gorai, Sukriti Manna +2
In this work, we expand the set of known layered compounds to include ionic layered materials, which are well known for superconducting, thermoelectric, and battery applications. F…
Large Piezoelectric Response of van der Waals Layered Solids
Sukriti Manna, Prashun Gorai, Geoff L. Brennecka +2
The bulk piezoelectric response, as measured by the piezoelectric modulus tensor (\textbf{d}), is determined by a combination of charge redistribution due to strain and the amount…
Metastable rocksalt ZnO is -type dopable
Anuj Goyal, Vladan Stevanović
Despite decades of efforts, achieving -type conductivity in the wide band gap ZnO in its ground-state wurtzite structure continues to be a challenge. Here we detail how -type…
Critical role of electronic correlations in determining crystal structure of transition metal compounds
Nicola Lanatà, Tsung-Han Lee, Yong-Xin Yao +2
The choice that a solid system "makes" when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds.…
Enhanced piezoelectric response of AlN via CrN alloying
Sukriti Manna, Kevin R. Talley, Prashun Gorai +5
Since AlN has emerged as an important piezoelectric material for a wide variety of applications, efforts have been made to increase its piezoelectric response via alloying with tra…
Tuning the piezoelectric and mechanical properties of the AlN system via alloying with YN and BN
Sukriti Manna, Geoff L. Brennecka, Vladan Stevanović +1
Recent advances in microelectromechanical systems often require multifunctional materials, which are designed so as to optimize more than one property. Using density functional the…
Identifying defect-tolerant semiconductors with high minority carrier lifetimes: Beyond hybrid lead halide perovskites
Riley E. Brandt, Vladan Stevanović, David S. Ginley +1
The emergence of methyl-ammonium lead halide (MAPbX3) perovskites motivates the identification of unique properties giving rise to exceptional bulk transport properties, and identi…