Study of electronic structure in molten metals by CHS reference system

ABSTRACT

Electron dispersion, Fermi energy and electronic density of states for seven metals in their molten state have been studied from the well-known universal model pseudopotential of Fiolhais et al. For generating structural information for molten state, the charged hard sphere (CHS) reference system is used. Eight different local field functions are used for studying the screening influences. In the case of monovalent metals, the distortion in Fermi energy is highest for Li. Among Al and Pb, such deviation is higher for liquid Al.

KEYWORDS:

• Universal pseudopotential
• molten metals
• electron dispersion
• fermi energy
• density of states
• Charged Hard Sphere (CHS) reference system

Acknowledgments

The authors are highly acknowledged for computer facility developed under DST-FIST programme of DST, Government of India, New Delhi, India and financial assistance under DRS-SAP-I from UGC, New Delhi, India.

Disclosure statement

No potential conflict of interest was reported by the authors.