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8 papers · 1 filter
The importance of inversion disorder in the visible light induced persistent luminescence in Cr doped ABO (A = Zn or Mg and B = Ga or Al)
Neelima Basavaraju, K. R. Priolkar, Didier Gourier +3
Cr doped spinel compounds ABO with A=Zn, Mg and B=Ga, Al exhibit a long near infrared persistent luminescence when excited with UV or X-rays. In addition, persistent…
Coherent storage of microwave excitations in rare-earth nuclear spins
Gary Wolfowicz, Hannes Maier-Flaig, Robert Marino +4
Interfacing between various elements of a computer - from memory to processors to long range communication - will be as critical for quantum computers as it is for classical comput…
Electrical Control of Optical Emitter Relaxation Pathways enabled by Graphene
K. J. Tielrooij, L. Orona, A. Ferrier +16
Controlling the energy flow processes and the associated energy relaxation rates of a light emitter is of high fundamental interest, and has many applications in the fields of quan…
Necessary and Sufficient Elastic Stability Conditions in Various Crystal Systems
Félix Mouhat, François-Xavier Coudert
While the Born elastic stability criteria are well-known for cubic crystals, there is some confusion in the literature about the form it should take for lower symmetry crystal clas…
Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs
Lila Bouëssel du Bourg, Aurélie U. Ortiz, Anne Boutin +1
Theoretical studies on the experimental feasibility of hypothetical Zeolitic Imidazolate Frameworks (ZIF) have focused so far on relative energy of various polymorphs, by energy mi…
Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)
Volker Haigis, Yacine Belkhodja, François-Xavier Coudert +2
Soft porous crystals present a challenge to molecular dynamics simulations with flexible size and shape of the simulation cell (i.e., in the NPT ensemble), since their framework re…