Importance of metal-metal interactions through the P-P bonds for the multidimensional electrical properties of MP4 (M = V, Cr, Mo)

Journal Article · Wed Jul 27 00:00:00 EDT 1988 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00288a027· OSTI ID:5826565

Alvarez, S; Fontcuberta, J; Whangbo, Myunghwan

The electronic structures of MP/sub 4/ (M = V, Cr, Mo) were examined by performing tight-binding band calculations on VP/sub 4/. The MP/sub 4/ phase has a structure in which metal atom chains are sandwiched between P/sub 4//sup 2/minus// layers. Despite this apparently one-dimensional character, the t/sub 2g/-block bands of VP/sub 4/ are dispersive not only along the chain but also along the interchain and interlayer directions. This study shows that the multidimensional nature of those bands originates from the fact that metal atom chains interact with one another through the P-P bonds of the P/sub 4//sup 2/minus// layers. Their Fermi surface calculations reveal that VP/sub 4/ is a three-dimensional metal, while CrP/sub 4/ and MoP/sub 4/ are semimetals. 19 refs., 5 figs., 2 tabs.

• Research Organization: Universitat de Barcelona (Spain)
• DOE Contract Number: FG05-86ER45259
• OSTI ID: 5826565
• Journal Information: Inorg. Chem.; (United States), Vol. 27:15
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CHROMIUM COMPOUNDS
ELECTRONIC STRUCTURE
MOLYBDENUM PHOSPHIDES
VANADIUM PHOSPHIDES
EXPERIMENTAL DATA
DATA
INFORMATION
MOLYBDENUM COMPOUNDS
NUMERICAL DATA
PHOSPHIDES
PHOSPHORUS COMPOUNDS
PNICTIDES
REFRACTORY METAL COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
VANADIUM COMPOUNDS
400201* - Chemical & Physicochemical Properties