Experimental and theoretical investigation of the crystal structure of CuS
HJ Gotsis, AC Barnes, P Strange - Journal of Physics …, 1992 - iopscience.iop.org
HJ Gotsis, AC Barnes, P Strange
Journal of Physics: Condensed Matter, 1992•iopscience.iop.orgThe crystal structure of CuS has been confirmed experimentally using the powder diffraction
method on the high-resolution powder diffractometer at the Rutherford-Appleton laboratory.
The observed crystal structure is P6 3/mmc. Standard density functional calculations on CuS
on a variety of crystal structures are also reported. The calculations also predict P6 3/mmc as
the stable crystal structure. On the basis of the agreement between theory and experiment
the authors are able to discuss the details of the bonding in this material.
method on the high-resolution powder diffractometer at the Rutherford-Appleton laboratory.
The observed crystal structure is P6 3/mmc. Standard density functional calculations on CuS
on a variety of crystal structures are also reported. The calculations also predict P6 3/mmc as
the stable crystal structure. On the basis of the agreement between theory and experiment
the authors are able to discuss the details of the bonding in this material.
Abstract
The crystal structure of CuS has been confirmed experimentally using the powder diffraction method on the high-resolution powder diffractometer at the Rutherford-Appleton laboratory. The observed crystal structure is P6 3/mmc. Standard density functional calculations on CuS on a variety of crystal structures are also reported. The calculations also predict P6 3/mmc as the stable crystal structure. On the basis of the agreement between theory and experiment the authors are able to discuss the details of the bonding in this material.
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