57 citations · 173 across the 7 of their papers we have counts for
7 papers
Heteroanionic Stabilization of Ni with Nonplanar Coordination in Layered Nickelates
Jaye K. Harada, Nenian Charles, Nathan Z. Koocher +4
We present electronic structure calculations on layered nickelate oxyfluorides derived from the Ruddlesden-Popper arisotype structure in search of unidentified materials that may h…
Large Itinerant Electron Exchange Coupling in the Magnetic Topological Insulator MnBi2Te4
Hari Padmanabhan, Vladimir A. Stoica, Peter Kim +20
Magnetism in topological materials creates phases exhibiting quantized transport phenomena with applications in spintronics and quantum information. The emergence of such phases re…
Interlayer magnetophononic coupling in MnBi2Te4
Hari Padmanabhan, Maxwell Poore, Peter Kim +16
The emergence of magnetism in quantum materials creates a platform to realize spin-based applications in spintronics, magnetic memory, and quantum information science. A key to unl…
Discovery of highly-polarizable semiconductors BaZrS3 and Ba3Zr2S7
Stephen Filippone, Boyang Zhao, Shanyuan Niu +6
There are few known semiconductors exhibiting both strong optical response and large dielectric polarizability. Inorganic materials with large dielectric polarizability tend to be…
Evidence for the weakly coupled electron mechanism in an Anderson-Blount polar metal
N. J. Laurita, A. Ron, J. Shan +6
Over 50 years ago, Anderson and Blount proposed that ferroelectric-like structural phase transitions may occur in metals, despite the expected screening of the Coulomb interactions…
Polarization Dependence of Water Adsorption to CHNHPbI (001) Surfaces
Nathan Z. Koocher, Diomedes Saldana-Greco, Fenggong Wang +2
The instability of organometal halide perovskites when in contact with water is a serious challenge to their feasibility as solar cell materials. Although studies of moisture expos…
First-principles calculation of bulk photovoltaic effect in CHNHPbI and CHNHPbICl
Fan Zheng, Hiroyuki Takenaka, Fenggong Wang +2
Hybrid halide perovskites exhibit nearly 20% power conversion efficiency, but the origin of their high efficiency is still unknown. Here, we compute the shift current, a dominant m…