Electronic structure and magnetic properties of transition metal diborides

Grechnev, G. E.; Fedorchenko, A. V.; Logosha, A. V.; Панфилов, А. С.; Svechkarev, I. V.; Филиппов, В. Б.; Lyashchenko, A. B.; Evdokimova, A.

doi:10.1016/j.jallcom.2009.03.123

Cited by 34 publications

(30 citation statements)

References 24 publications

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“…To calculate the Landau diamagnetic contribution χ L is a rather difficult problem 36,37 . The free-electron Landau approximation, which is often used for estimations, provides χ 0 L that equals − 1 3 of the Pauli spin susceptibility.…”

Section: Discussionmentioning

confidence: 99%

Magnetic properties of novel FeSe(Te) superconductors

Grechnev

Панфилов

Fedorchenko

et al. 2012

Journal of Magnetism and Magnetic Materials

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A detailed magnetization study for the novel FeSe superconductor is carried out to investigate the behavior of the intrinsic magnetic susceptibility χ in the normal state with temperature and under hydrostatic pressure. The temperature dependencies of χ and its anisotropy ∆χ = χ − χ ⊥ are measured for FeSe single crystals in the temperature range 4.2 − 300 K, and a substantial growth of susceptibility with temperature is revealed. The observed anisotropy ∆χ is very large and comparable with the averaged susceptibility at low temperatures. For a polycrystalline sample of FeSe, a significant pressure effect on χ is determined to be essentially dependent on temperature. Ab initio calculations of the pressure dependent electronic structure and magnetic susceptibility indicate that FeSe is close to magnetic instability with dominating enhanced spin paramagnetism. The calculated paramagnetic susceptibility exhibits a strong dependence on the unit cell volume and especially on the height Z of chalcogen species from the Fe plane. The change of Z under pressure determines a large positive pressure effect on χ which is observed at low temperatures. It is shown that the literature experimental data on the strong and nonmonotonic pressure dependence of the superconducting transition temperature in FeSe correlate qualitatively with calculated behavior of the density of electronic states at the Fermi level.

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Section: Discussionmentioning

confidence: 99%

Magnetic properties of novel FeSe(Te) superconductors

Grechnev

Панфилов

Fedorchenko

et al. 2012

Journal of Magnetism and Magnetic Materials

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“…Quite a number of theoretical studies of the electronic properties of the diborides are known to date [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23]. Ivanovskii et al [9] performed full potential linear muffin-tin orbital (FP-LMTO) calculations of all hexagonal diborides of 3d (Sc, Ti, ..., Fe), 4d (Y, Zr, ..., Ru), and 5d (La, Hf, ..., Os) metals and analyzed the variations in their chemical stability and some other properties (e.g., melting temperatures, enthalpies of formation).…”

Section: Introductionmentioning

confidence: 99%

“…The reason for the creation of the pseudogap was found to be due to the strong covalent interaction between boron p states. Fedor-chenko and Grechnev with coauthors [13,14] measured the temperature dependences of the magnetic susceptibility χ and its anisotropy = ⊥ ∆χ χ − χ  for single crystals of transition-metal diborides MB 2 (M = Sc, Ti, V, Zr, Hf) in the temperature interval 4.2-300 K. A transition into the superconducting state was not found in any of the diborides studied, right down to liquid-helium temperature. It was found that the anisotropy is weakly temperaturedependent, a nonmonotonic function of the filling of the hybridized p-d conduction band.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure, phonon spectra and electron–phonon interaction in ScB2

Sichkar

Antonov

2013

Low Temperature Physics

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The electronic structure, Fermi surface, angle dependence of the cyclotron masses and extremal cross sections of the Fermi surface, phonon spectra, electron-phonon Eliashberg and transport spectral functions, temperature dependence of electrical resistivity of the ScB 2 diboride were investigated from first principles using the fully relativistic and full potential linear muffin-tin orbital methods. The calculations of the dynamic matrix were carried out within the framework of the linear response theory. A good agreement with experimental data of electronphonon spectral functions, electrical resistivity, cyclotron masses and extremal cross sections of the Fermi surface was achieved.

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“…By now, the de Haas-van Alphen (dHvA) measurements of the Fermi surface [11], optical ellipsometry measurements [12], magnetic susceptibility [13,14], and NMR measurements [15], as well as firstprinciples calculations of the electronic structure of diborides including HfB 2 have been presented [13,14,[16][17][18][19].…”

mentioning

confidence: 99%

“…Fedorchenko and Grechnev with co-authors [13,14] measured the temperature dependences of the magnetic susceptibility  and its ani-sotropy        for single crystals of transition-metal diborides MB 2 (M  Sc, Ti, V, Zr, Hf) in the temperature interval 4.2-300 K. A transition into the superconducting state was not found in any of the diborides studied, right down to liquid-helium temperature. It was found that the anisotropy is weakly temperature-dependent, nonmonotonic function of the filling of the hybridized p-d conduction band.…”

mentioning

confidence: 99%

Complex Investigation of the Fermi Surface in HfB$_{2}$

Sichkar¹,

Antonov²

2016

Metallofiz. Noveishie Tekhnol.

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The electronic structure, Fermi surface, angle dependence of the cyclotron masses, and extremal cross sections of the Fermi surface of the hafnium diboride are investigated from the first principles using the fully relativistic and full-potential linear muffin-tin orbitals' methods. A good agreement with experimental data of cyclotron masses and extremal cross sections of the Fermi surface is achieved.Електронну структуру, поверхню Фермі, кутову залежність циклотронних мас і екстремальні перетини поверхні Фермі дибориду гафнію було дослі-джено з перших принципів із використанням повністю релятивістського та повнопотенціяльного методів лінійних МТ-орбіталей. Було досягнуто задо-вільного збігу з експериментальними даними стосовно циклотронних мас і екстремальних перетинів поверхні Фермі.Электронная структура, поверхность Ферми, угловая зависимость цикло-тронных масс и экстремальные сечения поверхности Ферми диборида гаф-ния были исследованы из первых принципов с использованием полностью релятивистского и полнопотенциального методов линейных МТ-орбита-лей. Было достигнуто хорошее согласие с экспериментальными данными циклотронных масс и экстремальных сечений поверхности Ферми.

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Electronic structure and magnetic properties of transition metal diborides

Cited by 34 publications

References 24 publications

Magnetic properties of novel FeSe(Te) superconductors

Magnetic properties of novel FeSe(Te) superconductors

Electronic structure, phonon spectra and electron–phonon interaction in ScB2

Complex Investigation of the Fermi Surface in HfB$_{2}$

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