NMR and ab initio study of gallium metal under pressure

Gallium metal possesses a complex phase diagram and it has been the subject of many experimental and theoretical studies. Nevertheless, hyperfine properties of its phases requiring higher pressure beyond the liquid-I-II triple point were seldom examined. In this work, hyperfine parameters of liquid and solid gallium metal under pressure are investigated by nuclear magnetic resonance (NMR) measurements and ab initio calculations. The electric field gradient and NMR shift of the Ga-III phase are both measured and calculated and their relation to electronic structure is interpreted. Further, calculations of pressure dependencies of the hyperfine parameters of several other solid gallium phases are presented.