Insulating fcc YH
We study the structural, optical, and electrical properties of Mg{sub z}Y{sub 1{minus}z} switchable mirrors upon hydrogenation. It is found that the alloys disproportionate into essentially pure YH{sub 3{minus}{delta}} and MgH{sub 2} with the crystal structure of YH{sub 3{minus}{delta}} dependent on the Mg concentration z. For 0{lt}z{lt}0.1, both hcp and fcc YH{sub 3{minus}{delta}} are observed, whereas for z{ge}0.1 only cubic YH{sub 3{minus}{delta}} is present. Interestingly, cubic YH{sub 3{minus}{delta}} is expanded compared to YH{sub 2}, in disagreement with theoretical predictions. From optical and electrical measurements we conclude that cubic YH{sub 3{minus}{delta}} is a transparent insulator with properties similar to hexagonal YH{sub 3{minus}{delta}}. Our results are inconsistent with calculations predicting fcc YH{sub 3{minus}{delta}} to be metallic, but they are in good agreement with recent GW calculations on both hcp and fcc YH{sub 3}. Finally, we find an increase in the effective band gap of the hydrided Mg{sub z}Y{sub 1{minus}z} alloys with increasing z. Possibly this is due to quantum confinement effects in the small YH{sub 3} clusters.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40203628
- Journal Information:
- Physical Review B, Vol. 63, Issue 23; Other Information: DOI: 10.1103/PhysRevB.63.235116; Othernumber: PRBMDO000063000023235116000001; 088120PRB; PBD: 15 Jun 2001; ISSN 0163-1829
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
Similar Records
Superconductivity and cobalt oxidation state in metastable Na{sub x}CoO{sub 2-{delta}}{center_dot}yH{sub 2}O (x{approx_equal}1/3; y{approx_equal}4x)
Preparation and characterization of clean, single-crystalline YH{sub x} films (0{<=}x{<=}2.9) on W(110)