Abstract
Co rich Hf-Co alloys demonstrate promising properties as potential permanent magnet systems. However their structure has not been well established by experiment. We performed a search for low-energy structures of the HfCo <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex Notation="TeX">$_{7}$</tex></formula> system with recently developed adaptive genetic algorithm. Among the low-energy structures with 16 and 32 atoms per unit cell, we found structural motifs similar to the permanent magnet SmCo <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$_{5}$</tex></formula> . For the unit cell size larger than 40 atoms, we found a phase separation into pure hcp Co and Hf <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$_{2}$</tex> </formula> Co <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$_{7}$</tex> </formula> in agreement with the experiment. Calculated magnetization and temperature of magnetic phase transition are similar to those for hcp Co. Overall considered HfCo <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$_{7}$</tex> </formula> system represents a mix of in- and out-of-plane magnetic anisotropies systems with possible site dependence of magnetic anisotropy.
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