The properties of photoemission electron sources determine the ultimate performance of a
wide class of electron accelerators and photon detectors. To date, all high-efficiency visible …

The effects of intrinsic and substitutional point defects MX (M= Li, Na, Mg, Al, K, Sc, Tb, Dy,
Ho, Er; X= C, Si) and NM X (NM= H, B, N, P, S) on the formation energy, mechanical and …

Tensor singular value decomposition (SVD) is a method to find a low-dimensional
representation of data with meaningful structure in three or more dimensions. Tensor SVD …

Strain-engineering is a powerful means to tune the polar, structural, and electronic
instabilities of incipient ferroelectrics. KTaO 3 is near a polar instability and shows …

Alkali antimonide semiconductor photocathodes provide a promising platform for the
generation of high-brightness electron beams, which are necessary for the development of …

Hyperferroelectrics are observing a growing interest thanks to their unique property to retain
a spontaneous polarization even in the presence of a depolarizing field, corresponding to …

Hyperferroelectricity (HyFE) is an intriguing phenomenon in which spontaneous polarization
persists under an open-circuit boundary condition (OCBC) despite the existence of a …

Recently, CaAgBi was predicted to be a Dirac semimetal, which has been verified by its
electrical resistivity and magneto-transport properties. However, its mechanical related …

The electronic, magnetic, thermoelectric, and topological properties of Heusler compounds
(composition XYZ or X 2 YZ) are highly sensitive to stoichiometry and defects. Here we …

As discussed in Chapter 1, one approach to searching for new ferroelectric materials is to
identify candidate material families and use first principles calculations to search for new …