Abstract
Yb 4 As 3 has been known as a heavy fermion compound with very low carriers. Recently, polarised neutron measurement has revealed the charge-ordered state in the low temperature phase after a structural phase transition. To clarify the conducting property, a band structure is calculated for hypothetical LuYb 3 As 3 where Yb 3+ are replaced with Lu, as it is a nonmagnetic reference material of the charge-ordered state of Yb 3+ Yb 3 2+ As 3 3- . The result shows LuYb 3 As 3 to be a semi-metal with As-4 p holes and Lu-5 d electrons, which is consistent with the semi-conducting behaviour of the charge-ordered state. The Fermi surfaces are located on a plane normal to the Yb 3+ chain with q = 0.
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