348 citations · 1.3k across the 14 of their papers we have counts for
15 papers
Theoretical insights for Improving the Schottky-barrier Height at the GaO/Pt Interface
Félix Therrien, Andriy Zakutayev, Vladan Stevanović
In this work we study the Schottky barrier height (SBH) at the junction between -GaO and platinum, a system of great importance for the next generation of high-power and…
On the Dopability of Semiconductors and Governing Material Properties
Anuj Goyal, Prashun Gorai, Shashwat Anand +3
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics.…
Matching Crystal Structures Atom-to-Atom
Félix Therrien, Peter Graf, Vladan Stevanović
Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developin…
The Glassy Solid as a Statistical Ensemble of Crystalline Microstates
Eric B. Jones, Vladan Stevanovic
Motivated by the concept of partial ergodicity, we present an alternative description of covalent and ionic glassy solids as statistical ensembles of crystalline local minima on th…
Effective -type Doping of MgSb with Group-3 Elements
Prashun Gorai, Eric S. Toberer, Vladan Stevanovic
The recent discovery of high thermoelectric performance in MgSb has been critically enabled by the success in -type doping of this material, which is achieved under Mg-r…
Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
Christopher J. Bartel, Samantha L. Millican, Ann M. Deml +7
The Gibbs energy, G, determines the equilibrium conditions of chemical reactions and materials stability. Despite this fundamental and ubiquitous role, G has been tabulated for onl…