Magnetic fluctuations and superconducting pairing in 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>ε</mml:mi></mml:math>
-iron

Белозеров, А. С.; Катанин, А. А.; Irkhin, V. Yu.; Анисимов, В. И.

doi:10.1103/physrevb.101.155126

Cited by 10 publications

(6 citation statements)

References 76 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…2) shows that in the t 2g band there are short lived local moments with the inverse lifetime, determined by the half width of the peak of the analytical continuation of χ(ω) at the half height [33], 0.16 eV. This corresponds to the lifetime 25 fs, which is approximately twice longer than that discussed previously for the iron pnictides [40] and ǫ-iron [35], but much shorter than the lifetime of local moments in such strong magnet as α-iron [41]. At the same time, almost no local moments are formed in the e g states.…”

Section: Local Susceptibilitymentioning

confidence: 74%

“…Below 400 K theoretical χ −1 (T ) shows an upturn which is not observed in experimental data. This upturn is found in DFT+DMFT studies of many other systems with van Hove singularity, slightly shifted off the Fermi level [33][34][35], and physically implies a tendency towards non-ferromagnetic (in particular, incommensurate) order, overestimated in DMFT for ZrZn 2 . This stresses the importance of non-local correlations in the considered multi-band model.…”

Section: Uniform Spin Susceptibilitymentioning

confidence: 80%

“…Such an effect of shifting the peak of the density of states towards Fermi level is common for other correlated metallic systems. For example, it occurs in α- [41], γ- [33] and ǫ-iron [35] and some two-dimensional systems (see, e.g., Refs. [42][43][44]).…”

Section: Local Susceptibilitymentioning

confidence: 99%

See 2 more Smart Citations

Electronic correlations, spectral and magnetic properties of ZrZn$_2$

Skornyakov,

Protsenko,

Anisimov

et al. 2020

Preprint

Self Cite

View full text Add to dashboard Cite

We present results of a theoretical study of a prototypical weak ferromagnet ZrZn2. We use the density-functional theory (DFT)+dynamical mean-field theory (DMFT) method to study the electronic and local magnetic properties. The obtained DFT+DMFT electronic self-energies are Fermi-liquid like, indicating a small effective mass enhancement of the Zr 4d states m * /m ∼ 1.1−1.3 accompanied by partly formed local moments within the electronic states of t2g symmetry. The effect of electronic interaction is shown to be essential for determining the correct topology of some of the Fermi surface sheets, which is changed due to a correlation-induced shift of the peak of the density of states. To study in detail the pressure dependence of the Curie temperature TC and corresponding pressure-induced quantum phase transition, we consider an effective single-band model, constructed using the Zr 4d contribution to the total density of states. The model is studied within static and dynamic mean-field theory, as well as spin-fermion approach. We show that the spin-fermion approach yields the pressure dependence TC(p) comparable well with the experimental data, including a first-order quantum phase transition at p ≈ 1.7 GPa.

show abstract

Section: Local Susceptibilitymentioning

confidence: 74%

Section: Uniform Spin Susceptibilitymentioning

confidence: 80%

See 1 more Smart Citation

Electronic correlations, spectral and magnetic properties of ZrZn$_2$

Skornyakov,

Protsenko,

Anisimov

et al. 2020

Preprint

Self Cite

View full text Add to dashboard Cite

show abstract

“…A somewhat similar to chromium shape of the DOS near the Fermi level is observed in the ε-phase of iron. At the same time, ε-iron, in contrast to chromium, has short-lived local magnetic moments [57], which likely occur because of a larger N(E F ) and a closer position of the peak of DOS to the Fermi level. The local moments in ε-iron are however still only weakly formed and they are difficult to detect experimentally.…”

Section: Discussionmentioning

confidence: 99%

Itinerant magnetism of chromium under pressure: a DFT+DMFT study

Белозеров

Катанин

Анисимов

2021

J. Phys.: Condens. Matter

Self Cite

View full text Add to dashboard Cite

We consider electronic and magnetic properties of chromium, a well-known itinerant antiferromagnet, by a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We find that electronic correlation effects in chromium, in contrast to its neighbors in the periodic table, are weak, leading to the quasiparticle mass enhancement factor m * /m ≈ 1.2. Our results for local spin-spin correlation functions and distribution of weights of atomic configurations indicate that the local magnetic moments are not formed. Similarly to previous results of DFT at ambient pressure, the non-uniform magnetic susceptibility as a function of momentum possesses close to the wave vector Q H = (0, 0, 2π/a) (a is the lattice constant) sharp maxima, corresponding to Kohn anomalies. We find that these maxima are preserved by the interaction and are not destroyed by pressure. Our calculations qualitatively capture a decrease of the Néel temperature with pressure and a breakdown of itinerant antiferromagnetism at pressure of ∼9 GPa in agreement with experimental data, although the Néel temperature is significantly overestimated because of the mean-field nature of DMFT.

show abstract

“…A somewhat similar to chromium shape of the DOS near the Fermi level is observed in the ε-phase of iron. At the same time, ε-iron, in contrast to chromium, has short-lived local magnetic moments [55], which likely occur because of a larger N(E F ) and a closer position of the peak of DOS to the Fermi level. The local moments in ε-iron are however still only weakly formed and they are difficult to detect experimentally.…”

Section: Discussionmentioning

confidence: 99%

Itinerant magnetism of chromium under pressure: a DFT+DMFT study

Belozerov,

Katanin,

Anisimov

2021

Preprint

Self Cite

View full text Add to dashboard Cite

We consider electronic and magnetic properties of chromium, a wellknown itinerant antiferromagnet, by a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We find that electronic correlation effects in chromium, in contrast to its neighbours in the periodic table, are weak, leading to the quasiparticle mass enhancement factor m * /m ≈ 1.2; our results for local spinspin correlation functions indicate that the local magnetic moments are not formed. The non-uniform magnetic susceptibility as a function of momentum possesses sharp maxima, corresponding to Kohn anomalies, close to the wave vector Q H = (0, 0, 2π/a) (a is the lattice constant), similarly to previous results of DFT at ambient pressure. We find that these maxima are preserved by the interaction and are not destroyed by pressure. Our calculations qualitatively capture a decrease of the Néel temperature with pressure and a breakdown of itinerant antiferomagnetism at pressure of ∼9 GPa in agreement with experimental data, although the Néel temperature is significantly overestimated because of the mean-field nature of DMFT.

show abstract

Magnetic fluctuations and superconducting pairing in ε -iron

Cited by 10 publications

References 76 publications

Electronic correlations, spectral and magnetic properties of ZrZn$_2$

Electronic correlations, spectral and magnetic properties of ZrZn$_2$

Itinerant magnetism of chromium under pressure: a DFT+DMFT study

Itinerant magnetism of chromium under pressure: a DFT+DMFT study

Contact Info

Product

Resources

About