Superconducting pairing mediated by spin fluctuations from first principles

Essenberger, F.; Sanna, Antonio; Linscheid, A.; Tandetzky, Falk; Profeta, G.; Cudazzo, Pierluigi; Gross, E. K. U.

doi:10.1103/physrevb.90.214504

Cited by 54 publications

(58 citation statements)

References 69 publications

(130 reference statements)

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“…The other type is based on timedependent DFT (TDDFT) 18,19 , and has been applied to bulk systems 16,17,[20][21][22][23] , thin films 24 and adatoms on surfaces [25][26][27] , with pioneering work on SOC 28 , but still not starting from a spin-polarized ground state 29 . Recently we provided a connection between MBPT and TDDFT, to describe the interaction between electrons and spin excitations 30 ; this link was also found for the theory of spin-fluctuation-mediated superconductivity 31 . Here we present a method for the calculation of dynamical magnetic response functions based on TDDFT and incorporating SOC.…”

Section: Introductionmentioning

confidence: 73%

Relativistic dynamical spin excitations of magnetic adatoms

et al. 2015

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We present a first-principles theory of dynamical spin excitations in the presence of spin-orbit coupling. The broken global spin rotational invariance leads to a new sum rule. We explore the competition between the magnetic anisotropy energy and the external magnetic field, as well as the role of electron-hole excitations, through calculations for 3d-metal adatoms on the Cu(111) surface. The spin excitation resonance energy and lifetime display non-trivial behavior, establishing the strong impact of relativistic effects. We legitimate the use of the Landau-Lifshitz-Gilbert equation down to the atomic limit, but with parameters that differ from a stationary theory.

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Section: Introductionmentioning

confidence: 73%

Relativistic dynamical spin excitations of magnetic adatoms

et al. 2015

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“…[37] where these results are obtained as outlined in Section III C), are essentially the modfications to the density functional used for ab initio calculations of electronically mediated superconductivity in Refs. [96,97]. This presents broader possibilities for the inclusion of novel order, such as spin-antisymmetric nematic order, in density functional code.…”

Section: A Qobd Vs Dft Dmft and Kadanoff-baymmentioning

confidence: 99%

“…Though progress has been made towards first principle calculations [96,97], presently, the calculation of fluctuation-induced effects, such as superconductivity, is carried out in parallel with ab initio band structure calculations; the latter providing spin susceptibilities that are used in field theoretical calculations. It would be appealing if these calculations could be performed in concert.…”

Section: A Qobd Vs Dft Dmft and Kadanoff-baymmentioning

confidence: 99%

Quantum Order-by-Disorder in Strongly Correlated Metals

Green

Conduit

Krüger

2018

Annu. Rev. Condens. Matter Phys.

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Entropic forces in classical many-body systems, e.g. colloidal suspensions, can lead to the formation of new phases. Quantum fluctuations can have similar effects: spin fluctuations drive the superfluidity of Helium-3 and a similar mechanism operating in metals can give rise to superconductivity. It is conventional to discuss the latter in terms of the forces induced by the quantum fluctuations. However, focusing directly upon the free energy provides a useful alternative perspective in the classical case and can also be applied to study quantum fluctuations. Villain first developed this approach for insulating magnets and coined the term order-by-disorder to describe the observed effect. We discuss the application of this idea to metallic systems, recent progress made in doing so, and the broader prospects for the future. CONTENTS

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“…It allows to compute all superconducting properties including the critical temperature and the excitation spectrum of the system. Coulomb interactions are included within static RPA [63], therefore excluding magnetic source of coupling [66]. In this work we used an improved functional form (also used in Ref.…”

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confidence: 99%

High temperature superconductivity in sulfur and selenium hydrides at high pressure

2016

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Abstract. Due to its low atomic mass, hydrogen is the most promising element to search for hightemperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). (2015)], shows that metallization of hydrogen can be reached at significantly lower pressure by inserting it in the matrix of other elements. In this work we investigate the phase diagram and the superconducting properties of the H-S systems by means of minima hopping method for structure prediction and density functional theory for superconductors. We also show that Se-H has a similar phase diagram as its sulfur counterpart as well as high superconducting critical temperature. We predict H3Se to exceed 120 K superconductivity at 100 GPa. We show that both H3Se and H3S, due to the critical temperature and peculiar electronic structure, present rather unusual superconducting properties.Under high pressure conditions, insulating and semiconducting materials tend to become metallic, because, with increasing electronic density, the kinetic energy grows faster than the potential energy. As metallicity is a necessary condition for superconductivity, generally becomes more likely under pressure [1,2]. Wigner and Huntington [3], already in 1935 suggested the possibility of a metallic modification of hydrogen under very high pressures. Ashcroft and Richardson predicted [4,5] hydrogen to become metallic under pressure and also the possibility to be a high temperature superconductor. The high critical temperature (T C ) of hydrogen [6-8] is a consequence of its low atomic mass leading to high energy vibrational modes and in turn to a large phase space available for electronphonon scattering to induce superconductivity [9]. However, the estimated metallization pressure [10,11] is beyond the current experimental capabilities [12][13][14][15]. It was only recently that hydrogen-rich compounds (chemically pre-compressed) started to be explored as a way to decrease the tremendous metallization pressure of pure hydrogen [16]. The first system explored experimentally was silane (SiH 4 ) [17]. Soon after, many others materials have been explored experimentally [18][19][20][21] and theoretically [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40].

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Superconducting pairing mediated by spin fluctuations from first principles

Cited by 54 publications

References 69 publications

Relativistic dynamical spin excitations of magnetic adatoms

Relativistic dynamical spin excitations of magnetic adatoms

Quantum Order-by-Disorder in Strongly Correlated Metals

High temperature superconductivity in sulfur and selenium hydrides at high pressure

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