Electronic Orbital Currents and Polarization in Mott Insulators L.N. Bulaevskii, C.D. Batista, LANL M. Mostovoy, Groningen Un.

D. Khomskii, Koln Un.

Introduction: why electrical properties of Mott insulators differ from those of band insulators. Magnetic states in the Hubbard model. Orbital currents. Electronic polarization. Low frequency dynamic properties. Conclusions.

Difference between Mott and band insulators

U H = tij (c c j + c c ) + 2 ij
+ i + j i

(n 1) ,
2 i i

ni = 1.

Only in the limit U electrons are localized on sites. At t / U 0 electrons can hop between sites.

4t 2 r r HS = ( S1 S 2 1/ 4). U

Orbital current

Definition of magnetic states for Hubbard Hamiltonian

U H = tij (c c j + c c ) + (ni 1) 2 , ni = 1. 2 i ij N U ground state 0 , 2 spin-degenerate, S-subspace. Excited (polar) states are separated by the Hubbard gap, U .
+ i + j i

tij

increases, degeneracy is adiabatically lifted

magnetic states

= e S (t ) 0 .
Magnetic state energies
* | H | = * | e S He S | 0 0

H S = Pe S He S P.

Any other electron operator

| O |
*

OS = Pe S Oe S P.
Si = ci+ ci .

H S , OS are expressed in terms of spin operators

Spin Hamiltonian
j k

For square lattice

l r r r r 4t HS = (Si S j 1/ 4) + J ik (Si Sk 1/ 4)k U ij ik
2

r r r r + J ij ,kl ( Si S j 1/ 4)( S k Sl 1/ 4),

ij , kl

J ij , J ij ,kl t 4 / U 3 .

Only even number of spin operators. Some excited magnetic states (collective modes) lay below the Hubbard gap resulting in low-T thermodynamic and lowfrequency dynamic properties of Mott insulators.

Spin current operator and scalar spin chirality

Bogolyubov, 1949.

Current operator for Hubbard Hamiltonian on bond ij:

r I ij =

r ietij rij hrij

(ci+ c j c + ci ). j

Projected current operator: odd # of spin operators, scalar in spin space. For smallest loop, triangle, r r rij 24et12t23t31 r r r [ S1 S 2 ] S3 . I S ,12 (3) = 2 1 rij hU Current via bond 23
2

I S ,23 = I S ,23 (1) + I S ,23 (4).

On bipartite nn lattice I S is absent.
1 3

r Orbital currents in the spin ordered ground state Si 0

Necessary condition for orbital currents is nonzero average chirality

12,3

r r r = [ S1 S 2 ] S3 ,

ij ,k 0.

It may be inherent to spin ordering or induced by magnetic field . Triangles with

chirality

On tetrahedron chirality may be nonzero but orbital currents absent.

Chirality in the ground state without magnetic ordering

12,3

r r r = [ S1 S 2 ] S3 0,
r S i = 0.

r Si = 0.
Mermin-Wagner

Geometrically frustrated 2d system theorem

State with maximum entropy may be with broken discrete symmetry 12,3 0. Example: J1 J 2
ij

model on kagome lattice:

r r r r H S = J1 Si S j + J 2 Si Sk .
ij

Ordering in J1 J 2 model on kagome lattice at T=0

T 0

J1
b)

Monte Carlo results by Domenge et al., 2007.

Cuboc Antiferro

Q=0 Neel Antiferro a)

J2

Phase diagram for classical order parameter

Ferro

q = 3 3
Neel Antiferro b)

For S=1/2 for low T cuboc is chiral with orbital currents b) and without spin ordering.

Boundary and persistent current

2 4 6
x y z 12 3 4 5 6

= const

Boundary current in gaped 2d insulator

Spin dependent electronic polarization

Charge operator on site i:

Qi = e ci+ ci .

nS ,i = Pe S ni e S P, Projected charge operator

r r 8t12t23t31 r r r nS ,1 (2,3) = 1 [ S1 ( S2 + S3 ) 2 S 2 S3 ]. 2 U r r Polarization on triangle P = e nS ,i ri , 123
i =1,2,3

n
i

S ,i

= 3.

Charge on site i is sum over triangles at site i.

Electronic polarization on triangle

Magnitostriction results in similar dependence of polarization on spins.

Charges on kagome lattice

Current ordering induced by perp. magnetic field

Charge ordering for spins 1/2 in magnetic field at S z = S / 3.

Low frequency dynamic properties: circular dichroism Responses to ac electric and ac magnetic field are comparable for J 100 K:
8 ik ( ) = 0 ik + V

n 0 0 | PS ,i | n n | PS ,k | 0
2 n0

+ i
2

hn 0 = En E0 ,
Compare P

H S n = En n .
and M
g B S.

8eat 3 / U 3 ,

Nonzero orbital moment Lz /

0 | Px | n , 0 | Py | n cos ,sin 0

Rotation of electric field polarization in chiral ground state.

Low frequency dynamic properties: negative refraction index

Responses to ac electric and ac magnetic field are comparable for J 100 K:
8 ik ( ) = 0 ik + V

n 0 0 | PS ,i | n n | PS ,k | 0 + i
2 n0 2

Spin-orbital coupling may lead to common poles in ik () and ik ( )

Negative refraction index if dissipation is weak.

Low frequency dynamic properties of isolated triangles

Trinuclear spin complex V15
IV K 6 [V15 As6O42 ( H 2O )] 8 H 2O.
V V

Energy levels of the Heisenberg Hamiltonian:

r r r r r r H S = J ( S1 S 2 + S 2 S3 + S1 S3 3 / 4) :

ground state: quartet S=1/2, = Tz = 1, (pseudospin), S z = 1/ 2, quartet S=3/2 separated by 3J/2. Polarization and orbital current in low-energy subspace:
E S=3/2

P , x = CTx , S

PS , y = CTy ,
3.

(ha / U ) I S = Tz ,
S=1/2

C = 12 3ea (t / U )

Isolated triangle: accounting for DM interaction

DM coupling: H DM For V15

r r = Dij Si S j .
ij

H DM Dz Lz S z .

Splits lowest quartet into 2 doublets + , and + , separated by energy = Dz . Ac electric field induces transitions between = 1. Ac magnetic field induces transitions between

S z = 1/ 2.

Isolated triangle with DM interaction

i k

= differ Frequnces of EPR and microwave absorptionDz . in field.

Near resonance strong rotation of electric field polarization. Below resonance at B=0 both ik ( ) and are negative if dissipation is low enough.

ik ( )

Conclusions
Dissipationless orbital microscopic currents, macroscopic boundary currents, macroscopic current around the ring like in superconductor. Spin-dependent electronic polarization and multiferroic behavior. Chirality results in circular dichroism, option to probe chirality when magnetic ordering is absent. Crystal with negative refraction index ?