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SU(3) Fermions in a three-band Graphene-like
model
Phys. Rev. B 100, 125152 (2019)
Ankur Das
University of Kentucky, Lexington, USA
Work done with
Sumiran Pujari
Indian Institute of Bombay, Mumbai, India
March Meeting 2020, Denver
March 3, 2020
Motivation
• Geometry of Bands
• Imp examples: QHE, Topological Insulators/Semi-metals
• Dirac cones on Honeycomb lattice
• Suppression of backscattering, Klein tunneling, Hall Effects
• Naive Q: Why Berry phase winding of π ?
Why π?
• A pictorial/operational demo:
−i lim
N→∞
N−1
j=0
log j|j + 1 (1)
• Recall Dirac cone wavefunctions
HDirac
K (p) =
0 px − ipy
px + ipy 0
(2)
v1(p) =
1
√
2
e−iθp
1
(3a)
v2(p) =
1
√
2
−e−iθp
1
(3b)
−i lim
N−>∞
N−1
j=0
log
1 + exp i θj+1 − θj
2
(4)
−i
2π
0
dθ
i
2
= π (5)
Go beyond π?
• More than two bands...
• Actually, can do it if we relax the degeneracy condition
• Gapped Dirac cones can enclose any fraction of π
• With degeneracy condition, look for three band generalizations...
• A simple case:
H3B
K (p) =


0 px + ipy 0
px − ipy 0 px + ipy
0 px − ipy 0

 (6)
• Essentially, H = B · S for S = 1 now
• Therefore, Berry phase is 0 mod 2π
• Notable case: α − T3 model (Orsay group)
Three-band continuum Hamiltonian
• Instead consider
H3A
K (p) =


0 px − ipy px − ipy
px + ipy 0 px + ipy
px + ipy px − ipy 0

 (7)
• The band structure
• Line degeneracies emanate from a central three-fold degeneracy
• Cannot be understood like Dirac (beyond Dirac)
Some context
• Lot of attention Three-fold degeneracies/triple point fermions
• both in 2D and 3D
• almost all spin-1 cases
• One notable exception in 3D (“Nexus” fermions, Ref. 29)
• Precursor: Heikkila, Volovik, New J. Phys. 17, 093019, (2015)
Geometry of H3A
• Ref. 29’s (Sci. Rep. 2017) argued beyond-Weyl band structure
• Beyond-Dirac in 2D for our case
• This precludes Berry phase calculation
• Arrow plots...
Geometry of H3A
• The three bands are intertwined ..
• Contrast with




0 px − ipy px + ipy
px + ipy 0 px − ipy
px − ipy px + ipy 0




• Main message: Analytic movement across line degeneracies
Geometry of H3A
• Explicit Eigensystem:
3A
1 (p) = −2p cos
θp + π
3
; =
1
√
3
ω2
e−i
2θp
3 ω ei
2θp
3 1
T
(8a)
3A
2 (p) = 2p cos
θp
3
; =
1
√
3
e−i
2θp
3 ei
2θp
3 1
T
(8b)
3A
3 (p) = −2p cos
θp − π
3
; =
1
√
3
ω e−i
2θp
3 ω2
ei
2θp
3 1
T
(8c)
• ei2θp/3 or z1/3 are non-analytic in complex plane
• For analytic embedding, need three Riemann surfaces
• e.g. at spectrum level, 3A
1 (p) = 2p Re ω2 3
√
eiθp , 3A
2 (p) = 2p Re
3
√
eiθp ,
3A
3 (p) = 2p Re ω
3
√
eiθp
Geometry of H3A: A winding number understanding
• ei2θp/3 factors makes the analytic movement explicit
• This motivates to write winding numbers using these factors
• However, we can’t circuit the three-fold degeneracy once
• Rather, need **three** circuits
• Beyond-Dirac comes because wavefunctions wind **twice**
Symmetry Analysis
• Where could H3A come from?
• Essentially, three copies of honeycomb hoppings...
• For regular two band (spinless) honeycomb,
C2 (inversion or π rotation around centre of hexagon)
T (time reversal)
Px ,Py (x,y reflections)
protect Dirac cone degeneracies
• Aside: C3 fixes them at K/K in honeycomb Brillouin zone
Symmetry Analysis: SU(3) structure
• For two bands such a spinless symmetry analysis gives
HDirac
=
p
ˆc†
µα(p) HDirac
µα,µ α ˆcµα(p) (9)
HDirac
µα,µ α = px τ3
µµ ⊗ σ1
αα + py τ0
µµ ⊗ σ2
αα (10)
which is nothing but Dirac cones at two valleys
• τ Pauli matrices index valleys, σ index sublattice
• In this way of writing, H3A looks like (at one valley)
H3A
K (p) = px (Λ1 + Λ4 + Λ6) + py (Λ2 + Λ5 − Λ7) (11)
where Λi are Gell-Mann matrices (generators of SU(3))
• Whereas
H3B
K (p) = px (Λ1 + Λ6) + py (Λ2 + Λ7) (12)
only use a subset (spin-1 generators of SU(2)) not surprisingly
Symmetry Analysis: SU(3) structure
• H3A involves all off-diagonal Gell-Mann matrices
• Inspired by the lattice, only impose C2, T and Px ,Py but no C3
• Also, anticipating valley structure along with sublattice (τi ⊗ Λj ) with functional
coefficients fij (p)
• Locality gets rid of half, those involving τx , τy
• Further reduce using above symmetries, to lowest order...
H = px τ3
⊗ (f −
Λ1
+ l−
1 (Λ4
+ Λ6
) + n−
Λ8
) +
py τ0
⊗ (g−
Λ2
+ m−
2 (Λ5
− Λ7
)) +
τ0 ⊗ (f +
Λ1
+ n+
Λ8
+ l+
1 (Λ4
+ Λ6
)) (13)
• large (8) parameter space for these Hamiltonians
• Aside: Imposing C3 can’t accomodate the H3A geometry
Symmetry Analysis: What we learnt?
• Categorize the various resulting band structures
• H3A like band structure requires fine-tuning...
• Generic situation at the bottom:
• However, this multiple Dirac Cone organization is deriving from the SU(3)
structure
• Also, “mass” term (τ0 ⊗ Λ8) is allowed by symmetry
The Lattice Band structure
• Graphene-like Lattice hoppings with 3 sites per unit cell
• With symmetry allowed deformations, get the generic case
• with lattice induced curvature in bands
Relevance to 3D
• turns out in 3D, such three-fold degeneracy can be guaranteed by symmetry
• Details in Ref. 29, G. Chang et al, Sci Rep (2017)
• Include proposed materials (Tungsten Carbide)
Relevance to 3D
• Beyond-Weyl implied because any sphere enclosing three-fold degenerate point
encounters a gapless point due to emanating line degeneracies
• H3A had the same feature/bug in 2D for any loop enclosing the three-fold
degneracy
• Inspite of this, we can understand the geometry in the 2D quite well
• These gapless points are not a fundamental roadblock
• Analytic movement across them governs the geometry
• In fact, can give a 2D non-Abelian topological invariant
• Suspect our 2D understanding can help complete the 3D story
• Aside: Borophene material has our lattice (Phys. Rev. Materials 3, 024004)
Non-Abelian Geometry of H3A
• Since, the bands are intertwined, adiabatic evolution can not remain in a single
“band”
• it will happen across the three “bands”
• |ψa(t) = e−i t
dt b(λ(t )) Uab(λ(t))|nb(λ(t))
• Under Schrodinger evolution, ˙Uab|nb + Uab
˙|nb = 0
• this leads to Non-Abelian Berry geometry (Wilczek & Zee)
• in 2D, can evaluate the holonomy U = P e−i Ai dλi
• (Ai )ba = −i na|∂λi
|nb and U are 3 × 3 matrices
• UK =


0 1 0
0 0 1
1 0 0

 UK =


0 0 1
1 0 0
0 1 0


• can also compute Non-Abelian Berry curvature (Fxy ), trace of its powers
• doesn’t give a signed invariant
Quantum Hall (Hofstadter butterfly
Hall quantization and quantum orbit
Numerical fitting we found ∝ n7/9 for top pair
Conclusions and Outlook
• Details in Phys. Rev. B 100, 125152 (2019).
• A toy model of beyond-Dirac fermions
• Wavefunction Geometry is explicit
• pertinent to understanding 3D Nexus fermions
• A lattice system with
• Physical properties, Effect of Interactions: further topics
Acknowledgements
• G. Murthy, L. Santos
• IRCC, IIT Bombay (17IRCCSG011)
• NSF Grant (DMR-1056536, DMR-1611161, DMR-1306897)
Thank You
Phase Formulas
• Berry connection
γn =
c
dR · An (R) (14)
where,
An (R) = i n (R) | R| n (R) (15)
• Berry curvature
Ωn (R) = R × An (R) (16)
γn =
S
dS · Ωn (R) (17)
• parameter R may be reciprocal momenta
• Berry phase winding around a degeneracy
• Chern number of a filled gapped band

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SU(3) fermions in a three-band graphene-like model

  • 1. SU(3) Fermions in a three-band Graphene-like model Phys. Rev. B 100, 125152 (2019) Ankur Das University of Kentucky, Lexington, USA Work done with Sumiran Pujari Indian Institute of Bombay, Mumbai, India March Meeting 2020, Denver March 3, 2020
  • 2. Motivation • Geometry of Bands • Imp examples: QHE, Topological Insulators/Semi-metals • Dirac cones on Honeycomb lattice • Suppression of backscattering, Klein tunneling, Hall Effects • Naive Q: Why Berry phase winding of π ?
  • 3. Why π? • A pictorial/operational demo: −i lim N→∞ N−1 j=0 log j|j + 1 (1) • Recall Dirac cone wavefunctions HDirac K (p) = 0 px − ipy px + ipy 0 (2) v1(p) = 1 √ 2 e−iθp 1 (3a) v2(p) = 1 √ 2 −e−iθp 1 (3b) −i lim N−>∞ N−1 j=0 log 1 + exp i θj+1 − θj 2 (4) −i 2π 0 dθ i 2 = π (5)
  • 4. Go beyond π? • More than two bands... • Actually, can do it if we relax the degeneracy condition • Gapped Dirac cones can enclose any fraction of π • With degeneracy condition, look for three band generalizations... • A simple case: H3B K (p) =   0 px + ipy 0 px − ipy 0 px + ipy 0 px − ipy 0   (6) • Essentially, H = B · S for S = 1 now • Therefore, Berry phase is 0 mod 2π • Notable case: α − T3 model (Orsay group)
  • 5. Three-band continuum Hamiltonian • Instead consider H3A K (p) =   0 px − ipy px − ipy px + ipy 0 px + ipy px + ipy px − ipy 0   (7) • The band structure • Line degeneracies emanate from a central three-fold degeneracy • Cannot be understood like Dirac (beyond Dirac)
  • 6. Some context • Lot of attention Three-fold degeneracies/triple point fermions • both in 2D and 3D • almost all spin-1 cases • One notable exception in 3D (“Nexus” fermions, Ref. 29) • Precursor: Heikkila, Volovik, New J. Phys. 17, 093019, (2015)
  • 7. Geometry of H3A • Ref. 29’s (Sci. Rep. 2017) argued beyond-Weyl band structure • Beyond-Dirac in 2D for our case • This precludes Berry phase calculation • Arrow plots...
  • 8. Geometry of H3A • The three bands are intertwined .. • Contrast with     0 px − ipy px + ipy px + ipy 0 px − ipy px − ipy px + ipy 0     • Main message: Analytic movement across line degeneracies
  • 9. Geometry of H3A • Explicit Eigensystem: 3A 1 (p) = −2p cos θp + π 3 ; = 1 √ 3 ω2 e−i 2θp 3 ω ei 2θp 3 1 T (8a) 3A 2 (p) = 2p cos θp 3 ; = 1 √ 3 e−i 2θp 3 ei 2θp 3 1 T (8b) 3A 3 (p) = −2p cos θp − π 3 ; = 1 √ 3 ω e−i 2θp 3 ω2 ei 2θp 3 1 T (8c) • ei2θp/3 or z1/3 are non-analytic in complex plane • For analytic embedding, need three Riemann surfaces • e.g. at spectrum level, 3A 1 (p) = 2p Re ω2 3 √ eiθp , 3A 2 (p) = 2p Re 3 √ eiθp , 3A 3 (p) = 2p Re ω 3 √ eiθp
  • 10. Geometry of H3A: A winding number understanding • ei2θp/3 factors makes the analytic movement explicit • This motivates to write winding numbers using these factors • However, we can’t circuit the three-fold degeneracy once • Rather, need **three** circuits • Beyond-Dirac comes because wavefunctions wind **twice**
  • 11. Symmetry Analysis • Where could H3A come from? • Essentially, three copies of honeycomb hoppings... • For regular two band (spinless) honeycomb, C2 (inversion or π rotation around centre of hexagon) T (time reversal) Px ,Py (x,y reflections) protect Dirac cone degeneracies • Aside: C3 fixes them at K/K in honeycomb Brillouin zone
  • 12. Symmetry Analysis: SU(3) structure • For two bands such a spinless symmetry analysis gives HDirac = p ˆc† µα(p) HDirac µα,µ α ˆcµα(p) (9) HDirac µα,µ α = px τ3 µµ ⊗ σ1 αα + py τ0 µµ ⊗ σ2 αα (10) which is nothing but Dirac cones at two valleys • τ Pauli matrices index valleys, σ index sublattice • In this way of writing, H3A looks like (at one valley) H3A K (p) = px (Λ1 + Λ4 + Λ6) + py (Λ2 + Λ5 − Λ7) (11) where Λi are Gell-Mann matrices (generators of SU(3)) • Whereas H3B K (p) = px (Λ1 + Λ6) + py (Λ2 + Λ7) (12) only use a subset (spin-1 generators of SU(2)) not surprisingly
  • 13. Symmetry Analysis: SU(3) structure • H3A involves all off-diagonal Gell-Mann matrices • Inspired by the lattice, only impose C2, T and Px ,Py but no C3 • Also, anticipating valley structure along with sublattice (τi ⊗ Λj ) with functional coefficients fij (p) • Locality gets rid of half, those involving τx , τy • Further reduce using above symmetries, to lowest order... H = px τ3 ⊗ (f − Λ1 + l− 1 (Λ4 + Λ6 ) + n− Λ8 ) + py τ0 ⊗ (g− Λ2 + m− 2 (Λ5 − Λ7 )) + τ0 ⊗ (f + Λ1 + n+ Λ8 + l+ 1 (Λ4 + Λ6 )) (13) • large (8) parameter space for these Hamiltonians • Aside: Imposing C3 can’t accomodate the H3A geometry
  • 14. Symmetry Analysis: What we learnt? • Categorize the various resulting band structures • H3A like band structure requires fine-tuning... • Generic situation at the bottom: • However, this multiple Dirac Cone organization is deriving from the SU(3) structure • Also, “mass” term (τ0 ⊗ Λ8) is allowed by symmetry
  • 15. The Lattice Band structure • Graphene-like Lattice hoppings with 3 sites per unit cell • With symmetry allowed deformations, get the generic case • with lattice induced curvature in bands
  • 16. Relevance to 3D • turns out in 3D, such three-fold degeneracy can be guaranteed by symmetry • Details in Ref. 29, G. Chang et al, Sci Rep (2017) • Include proposed materials (Tungsten Carbide)
  • 17. Relevance to 3D • Beyond-Weyl implied because any sphere enclosing three-fold degenerate point encounters a gapless point due to emanating line degeneracies • H3A had the same feature/bug in 2D for any loop enclosing the three-fold degneracy • Inspite of this, we can understand the geometry in the 2D quite well • These gapless points are not a fundamental roadblock • Analytic movement across them governs the geometry • In fact, can give a 2D non-Abelian topological invariant • Suspect our 2D understanding can help complete the 3D story • Aside: Borophene material has our lattice (Phys. Rev. Materials 3, 024004)
  • 18. Non-Abelian Geometry of H3A • Since, the bands are intertwined, adiabatic evolution can not remain in a single “band” • it will happen across the three “bands” • |ψa(t) = e−i t dt b(λ(t )) Uab(λ(t))|nb(λ(t)) • Under Schrodinger evolution, ˙Uab|nb + Uab ˙|nb = 0 • this leads to Non-Abelian Berry geometry (Wilczek & Zee) • in 2D, can evaluate the holonomy U = P e−i Ai dλi • (Ai )ba = −i na|∂λi |nb and U are 3 × 3 matrices • UK =   0 1 0 0 0 1 1 0 0   UK =   0 0 1 1 0 0 0 1 0   • can also compute Non-Abelian Berry curvature (Fxy ), trace of its powers • doesn’t give a signed invariant
  • 20. Hall quantization and quantum orbit Numerical fitting we found ∝ n7/9 for top pair
  • 21. Conclusions and Outlook • Details in Phys. Rev. B 100, 125152 (2019). • A toy model of beyond-Dirac fermions • Wavefunction Geometry is explicit • pertinent to understanding 3D Nexus fermions • A lattice system with • Physical properties, Effect of Interactions: further topics
  • 22. Acknowledgements • G. Murthy, L. Santos • IRCC, IIT Bombay (17IRCCSG011) • NSF Grant (DMR-1056536, DMR-1611161, DMR-1306897)
  • 24. Phase Formulas • Berry connection γn = c dR · An (R) (14) where, An (R) = i n (R) | R| n (R) (15) • Berry curvature Ωn (R) = R × An (R) (16) γn = S dS · Ωn (R) (17) • parameter R may be reciprocal momenta • Berry phase winding around a degeneracy • Chern number of a filled gapped band