36 citations · 130 across the 8 of their papers we have counts for
8 papers
Inducing Quantum Phase Transitions in Non-Topological Insulators Via Atomic Control of Sub-Structural Elements
Thomas K. Reid, S. Pamir Alpay, Alexander V. Balatsky +1
Topological insulators (TIs) are an important family of quantum materials that exhibit a Dirac point (DP) in the surface band structure but have a finite band gap in bulk. A large…
First Principles Modeling of Topological Insulators: Structural Optimization and Exchange Correlation Functionals
Thomas K. Reid, S. Pamir Alpay, Alexander V. Balatsky +1
Topological insulators (TIs) are materials that are insulating in the bulk but have zero band gap surface states with linear dispersion and are protected by time reversal symmetry.…
Electronic and Optical Properties of Zinc based Hybrid Organic-Inorganic Compounds for Ultraviolet Applications
Trilochan Sahoo, Uchenna A. Anene, S. Pamir Alpay +1
Hybrid organic-inorganic (HOI) compounds are excellent candidates for a wide spectrum of applications in diverse fields such as optics, electronics, energy and biotechnology. Their…
Polarization rotation in BiTiO by isovalent doping at the fluorite sublattice
Kevin Co, Fu-Chang Sun S. Pamir Alpay, Sanjeev K. Nayak
Bismuth titanate, BiTiO (BiT), is a complex layered ferroelectric material that is composed of three perovskite-like units and one fluorite-like unit stacked alterna…
Soft Phonon Mode Dynamics in Aurivillius Type Structures
Deepam Maurya, Ali Charkhesht, Sanjeev K. Nayak +11
We report the dynamics of soft phonon modes and their role towards the various structural transformations in Aurivillius materials by employing terahertz frequency-domain spectrosc…
The effect of hydrostatic pressure and uniaxial strain on the electronic structure of PbSnTe
Matthias Geilhufe, Sanjeev K. Nayak, Stefan Thomas +5
The electronic structure of PbSnTe is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. Fo…
Study of the Negative Magneto-Resistance of Single Proton-Implanted Lithium-Doped ZnO Microwires
I. Lorite, C. Zandalazini, P. Esquinazi +14
The magneto-transport properties of single proton-implanted ZnO and of Li(7\%)-doped ZnO microwires have been studied. The as-grown microwires were highly insulating and not magnet…
Anisotropic ferromagnetism in carbon doped zinc oxide from first-principles studies
Sanjeev K. Nayak, Markus E. Gruner, Sung Sakong +4
A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HS…