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HYBRIDIZATION EFFECTS IN $RT_2$ COMPOUNDS (R = Ce, Pr, Nd, Sm, Gd; T = Fe, Co, Ni)
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  • HYBRIDIZATION EFFECTS IN $RT_2$ COMPOUNDS (R = Ce, Pr, Nd, Sm, Gd; T = Fe, Co, Ni)
저자명
Kang. Kicheon,Min. B.I.,Kang. J.S.
간행물명
韓國磁氣學會誌
권/호정보
1995년|5권 5호|pp.376-379 (4 pages)
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한국자기학회
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정기간행물|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Employing the muffin-tin-orbital theory combined with pseudo-potential concepts, we have evaluated hybridization matrix elements between R and T sites in $RT_{2}$ compounds. The matrix elements are calculated with two parameters, the interatomic distance between R and T atoms from the crystal structure data, and the expectation values of the radial distances for the radial wave functions of the ground state charge densities, which are obtained from the linearized muffin-tin orbital band method within the local density approximation. It is found that the R 4f/T 3d hybridization matrix elements decrease with an increasing atomic number from R=Ce to Gd, and that they are smaller in $RNi_{2}$ than in $RCo_{2}$, which are consistent with trends observed in recent photoemission spectroscopy experiments. It is also found that the magnitudes of the hybridization matrix elements in $RFe_{2}$ are comparable to those in $RNi_{2}$.