HfO2
HfO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Hf(1)–O(1) bond lengths are 2.18 Å. O(1) is bonded to four equivalent Hf(1) atoms to form a mixture of edge and corner-sharing OHf4 tetrahedra.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 3,000 | 3.335×10^10 |
Phasecraft | 3,120 | 166,018 |
Applications | Capacitors LEDs Memory Microelectronics Transistors | |
Material info
- Name
- HfO2
- Materials Project ID
- mp-550893
- Number of atoms
- 3
- Spacegroup
- Fm-3m
Density Functional Theory
- Kohn-Sham electrons
- 32
- Kohn-Sham electrons occupied
- 12
- Pseudo family
- ONCVPSP
Circuitry
- Circuit depth
- 166,018
- Number of interactions
- 521,344
- Number of modes
- 3,000
- Number of qubits
- 3,120
- Number of two-qubit gates
- 18,745,496
Encoding
- Number of groups
- 125
- Modes per group
- 24
- Translatable
- 4,504
- Non-translatable
- 7,012
- Tiled translatable
- 264,500
- Tiled nontranslatable
- 256,844
- System dimensions
- [5, 5, 5]
Wannier Functions
- Final spread
- 6.363×10^-1
- Final variance
- 1.435×10^-1
- Number of iterations
- 797
- Number of Wannier functions
- 12
- Spread difference
- 9.239×10^-8
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 261,348
- Number of nontranslatable terms
- 7,012
- Number of translatable terms
- 4,504
- Number of tiled translatable terms
- 264,500
- Number of tiled nontranslatable terms
- 256,844
Hamiltonian
- Baseline circuit depth
- 3.335×10^10
- Baseline number of bands
- 12
- Baseline number of qubits
- 3,000
- Coulumb number of cluster sites
- 19
- Coulomb neighbor order
- 1
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 55
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 9,376
- Number of hopping terms
- 9,172
- Number of Majorana terms
- 11,777
- Number of Wannier tight binding
- 12
- Tau Coulomb terms consistent
- 1.582×10^-1
- Tau hop matrix consistent
- 2.955×10^-4
- Threshold Coulomb terms
- 1.022×10^0
- Threshold hop matrix
- 0.007484
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 4
