74 citations · 137 across the 3 of their papers we have counts for
5 papers
Strain game revisited for complex oxide thin-films: Substrate-film thermal expansion mismatch in PbTiO
Ethan T. Ritz, Nicole A. Benedek
The sensitivity of materials properties, particularly those of perovskite oxides, to epitaxial strain has been exploited to great advantage to create materials with new or enhanced…
Thermal Expansion in Insulating Solids From First Principles
Ethan T. Ritz, Sabrina J. Li, Nicole A. Benedek
In this Tutorial, we describe the use of the quasiharmonic approximation and first-principles density functional theory (DFT) to calculate and analyze the thermal expansion of insu…
Interplay between phonons and anisotropic elasticity drives negative thermal expansion in PbTiO
Ethan T. Ritz, Nicole A. Benedek
We use first-principles theory to show that the ingredients assumed to be essential to the occurrence of negative thermal expansion (NTE) -- rigid unit phonon modes with negative G…
Ultrafast optically induced ferromagnetic/anti-ferromagnetic phase transition in GdTiO from first principles
Guru Khalsa, Nicole A. Benedek
Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in…
The Magnetoelectric Effect in Transition Metal Oxides: Insights and the Rational Design of New Materials from First Principles
Turan Birol, Nicole A. Benedek, Hena Das +6
The search for materials displaying a large magnetoelectric effect has occupied researchers for many decades. The rewards could include not only advanced electronics technologies,…