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- National Institute of Standards and TechnologyUS134 papers
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7 papers · 2 filters
Strain Controlled Magnetic and Optical Properties of Monolayer 2H-TaSe
Sugata Chowdhury, Jeffrey R. Simpson, T. L. Einstein +1
First-principles calculations are used to probe the effects of mechanical strain on the magnetic and optical properties of monolayer (ML) 2H-TaSe. A complex dependence of these…
Prediction of Weyl semimetal, AFM topological insulator, nodal line semimetal, and Chern insulator phases in Bi2MnSe4
Sugata Chowdhury, Kevin F. Garrity, Francesca Tavazza
Three dimensional materials with strong spin-orbit coupling and magnetic interactions represent an opportunity to realize a variety of rare and potentially useful topological phase…
Origins of diamond surface noise probed by correlating single spin measurements with surface spectroscopy
Sorawis Sangtawesin, Bo L. Dwyer, Srikanth Srinivasan +15
The nitrogen vacancy (NV) center in diamond exhibits spin-dependent fluorescence and long spin coherence times under ambient conditions, enabling applications in quantum informatio…
Layer-resolved band bending at the n-SrTiO3(001)/p-Ge(001) interface
Y. Du, P. V. Sushko, S. R. Spurgeon +6
The electronic properties of epitaxial heterojunctions consisting of the prototypical perovskite oxide semiconductor,n-SrTiO3 and the high-mobility Group IV semiconductor p-Ge have…
Combined cluster and atomic displacement expansion for solid solutions and magnetism
Kevin F. Garrity
Finite temperature disordered solid solutions and magnetic materials are difficult to study directly using first principles calculations, due to the large unit cells and many indep…
Local atomic geometry and Ti 1s near-edge spectra in PbTiO and SrTiO
Eric Cockayne, Eric L. Shirley, Bruce D. Ravel +1
We study Ti 1s near-edge spectroscopy in PbTiO at various temperatures above and below its tetragonal-to-cubic phase transition, and in SrTiO at room temperature. Ab initio…