Priya Gopal

University of California, Santa Barbara

Research Expertise

computational material science

Legacy Map

Publications

Transition metal-doped TiO₂and ZnO—present status of the field

Journal of Physics: Condensed Matter

Magnetic interactions in transition-metal-doped ZnO: Anab initiostudy

Physical Review B

Polarization, piezoelectric constants, and elastic constants of ZnO, MgO, and CdO

Journal of Electronic Materials

AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

Computational Materials Science

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional

Physical Review B

Improved electronic structure and magnetic exchange interactions in transition metal oxides

Journal of Physics: Condensed Matter

Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe

npj Computational Materials

Systematic Band Gap Tuning of BaSnO₃ via Chemical Substitutions: The Role of Clustering in Mixed-Valence Perovskites

Chemistry of Materials

First-principles study of self- and solute diffusion mechanisms inγ′-Ni3Al

Physical Review B

First-principles study of wurtzite-structure MnO

Physical Review B

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids

Physical Review Materials

Ultrathin SnTe films as a route towards all-in-one spintronics devices

Site occupancy of chromium in the γ′-Ni₃Al phase of nickel-based superalloys: a combined 3D atom probe and first-principles study

Philosophical Magazine Letters

Absorption and emission modulation in a MoS₂–GaN (0001) heterostructure by interface phonon–exciton coupling

Photonics Research

Thermoelectric Properties of Minerals with the Mawsonite Structure

ACS Applied Energy Materials

Mechanical Properties of Chemically Modified Clay

Scientific Reports

First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel

Journal of Applied Physics

High-Throughput Computational Search for Half-Metallic Oxides

Analogous behavior of FE-DE heterostructure at room temperature and ferroelectric capacitor at Curie temperature

Superlattices and Microstructures

Effects of pressure on the structural, electronic, and optical properties of rhombohedral NdAlO₃: Ab initio study

Two-Layer High-Throughput: Effective Mass Calculations Including Warping

Highlights from the APS March Meeting 2016

First Principles Investigation Of Charge State And Diffusion Of Hydrogen In Icosahedral Ti-Zr-Ni Alloy

AIP Conference Proceedings

Determination of Gamma-Prime Site Occupancies in Nickel Superalloys Using Atom Probe Tomography and X-Ray Diffraction (Preprint)

First-principles study of Ni/Ni3Al interface doped with Re, Ta and W

Computational Materials Science

Effect of interstitial content on high temperature fatigue crack propagation and low cycle fatigue of Alloy 720Bashir, S. and Thomas, M. C. Proc. Conf. Superalloys 1992, Champion, Pennsylvania, USA, 20–24 Sept. 1992, (The Minerals, Metals & Materials Society, 420 Commonwealth Dr, Warrendale, PA 15086, USA) 1992 pp 747–755

International Journal of Fatigue

Intertidal macrophytes of Santa Cruz Island, California /

APS 2005 March Meeting Show Guide

Cylinder wall waste heat recovery from liquid-cooled internal combustion engines utilizing thermoelectric generators

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