Electronic structure and lattice dynamics of domeykite Cu3As according to nuclear quadrupolar resonance of75As and63,65Cu

The temperature dependences of nuclear quadrupole resonance (NQR) frequencies, the line width and nuclear relaxation of75As and63,65Cu, as well as the electrical resistivity in domeykite Cu3As are studied in the temperature range of 4.2-300 K. The comparison of the calculated with the measured lattice contribution to the NQR frequencies points at a substantial role played by the conduction electrons in creating the electric field gradient at the nuclei sites. The temperature dependence of the copper and arsenic nuclear spin-lattice relaxation linear at 4.2

Keywords:

• Electrical resistance and conductance
• Density of states
• Nuclear magnetic resonance
• Fermi surface
• Ionic bonding
• Nuclear quadrupole resonance
• Electrical resistivity and conductivity
• Condensed matter physics
• Electric field gradient
• Chemistry
• Thermal conduction
• Resonance
• Electronic structure
• Knight shift

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