Magnetic exchange interactions in the Quasiparticle Self-Consistent GW approximation

Mark Van Schilfgaarde; Liqin Ke; Kirill Belashenko; Takao Kotani

Magnetic exchange interactions in the Quasiparticle Self-Consistent GW approximation

Mark Van Schilfgaarde, Liqin Ke, Kirill Belashenko, Takao Kotani

Research output: Contribution to journal › Conference paper › peer-review

Abstract

This talk consists of two parts. In the first part, we show how the transverse magnetic susceptibility χ(q,R,R^',φ) of a material can be calculated within the recently developed Quasiparticle Self-Consistent GW (QSGW) approximation. We demonstrate it for some well understood magnetic systems to establish its applicability, especially to correlated systems. The static limit χ(q,R,R^',0) can be mapped to a Heisenberg model, and exchange parameters derived. Next we consider MnAs, Gd, and some DMS compounds Mn:GaAs. We compare dynamic susceptibilities in the time-dependent local-density approximation (TD-LDA) to those of QSGW. QSGW and TD-LDA results are quite different; we explain the origin of the differences. We next simplify χ(q,R,R^',0) to arrive at an RKKY approximation to it, the approximation widely assumed in carrier mediated models of DMS. The full results and the RKKY approximations to them are compared.

Original language	English
Journal	Bulletin of the American Physical Society
Volume	55
Issue number	2
Publication status	Published - Mar 2010
Event	American Physical Society, APS March Meeting 2010 - , United Kingdom Duration: 15 Mar 2010 → 19 Mar 2010

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Cite this

@article{b3ef0cf3c1b34b99b5fce653a9333324,

title = "Magnetic exchange interactions in the Quasiparticle Self-Consistent GW approximation",

abstract = "This talk consists of two parts. In the first part, we show how the transverse magnetic susceptibility χ(q,R,R^',φ) of a material can be calculated within the recently developed Quasiparticle Self-Consistent GW (QSGW) approximation. We demonstrate it for some well understood magnetic systems to establish its applicability, especially to correlated systems. The static limit χ(q,R,R^',0) can be mapped to a Heisenberg model, and exchange parameters derived. Next we consider MnAs, Gd, and some DMS compounds Mn:GaAs. We compare dynamic susceptibilities in the time-dependent local-density approximation (TD-LDA) to those of QSGW. QSGW and TD-LDA results are quite different; we explain the origin of the differences. We next simplify χ(q,R,R^',0) to arrive at an RKKY approximation to it, the approximation widely assumed in carrier mediated models of DMS. The full results and the RKKY approximations to them are compared. ",

author = "{Van Schilfgaarde}, Mark and Liqin Ke and Kirill Belashenko and Takao Kotani",

year = "2010",

month = mar,

language = "English",

volume = "55",

journal = "Bulletin of the American Physical Society",

number = "2",

note = "American Physical Society, APS March Meeting 2010 ; Conference date: 15-03-2010 Through 19-03-2010",

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TY - JOUR

T1 - Magnetic exchange interactions in the Quasiparticle Self-Consistent GW approximation

AU - Van Schilfgaarde, Mark

AU - Ke, Liqin

AU - Belashenko, Kirill

AU - Kotani, Takao

PY - 2010/3

Y1 - 2010/3

N2 - This talk consists of two parts. In the first part, we show how the transverse magnetic susceptibility χ(q,R,R^',φ) of a material can be calculated within the recently developed Quasiparticle Self-Consistent GW (QSGW) approximation. We demonstrate it for some well understood magnetic systems to establish its applicability, especially to correlated systems. The static limit χ(q,R,R^',0) can be mapped to a Heisenberg model, and exchange parameters derived. Next we consider MnAs, Gd, and some DMS compounds Mn:GaAs. We compare dynamic susceptibilities in the time-dependent local-density approximation (TD-LDA) to those of QSGW. QSGW and TD-LDA results are quite different; we explain the origin of the differences. We next simplify χ(q,R,R^',0) to arrive at an RKKY approximation to it, the approximation widely assumed in carrier mediated models of DMS. The full results and the RKKY approximations to them are compared.

AB - This talk consists of two parts. In the first part, we show how the transverse magnetic susceptibility χ(q,R,R^',φ) of a material can be calculated within the recently developed Quasiparticle Self-Consistent GW (QSGW) approximation. We demonstrate it for some well understood magnetic systems to establish its applicability, especially to correlated systems. The static limit χ(q,R,R^',0) can be mapped to a Heisenberg model, and exchange parameters derived. Next we consider MnAs, Gd, and some DMS compounds Mn:GaAs. We compare dynamic susceptibilities in the time-dependent local-density approximation (TD-LDA) to those of QSGW. QSGW and TD-LDA results are quite different; we explain the origin of the differences. We next simplify χ(q,R,R^',0) to arrive at an RKKY approximation to it, the approximation widely assumed in carrier mediated models of DMS. The full results and the RKKY approximations to them are compared.

M3 - Conference paper

VL - 55

JO - Bulletin of the American Physical Society

JF - Bulletin of the American Physical Society

IS - 2

T2 - American Physical Society, APS March Meeting 2010

Y2 - 15 March 2010 through 19 March 2010

ER -

Magnetic exchange interactions in the Quasiparticle Self-Consistent GW approximation

Abstract

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