ΠΡΠΈΠΌΠ΅Π½Π΅Π½ΠΈΠ΅ ΡΡΠ½ΠΊΡΠΈΠΉ ΠΠ°Π½ΡΠ΅ Π² ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΈ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΡΡΡΡΠΊΡΡΡΡ ΡΠΎΠ΅Π΄ΠΈΠ½Π΅Π½ΠΈΠΉ ΠΏΠ΅ΡΠ΅Ρ ΠΎΠ΄Π½ΡΡ ΠΌΠ΅ΡΠ°Π»Π»ΠΎΠ²
ΠΠΈΡΡΠ΅ΡΡΠ°ΡΠΈΡ
Π ΠΎΡΠ»ΠΈΡΠΈΠ΅ ΠΎΡ LDA+DMFT (QMC) ΡΠ΅Π·ΡΠ»ΡΡΠ°ΡΠΎΠ² Π΄Π»Ρ 3d ΡΠΈΡΡΠ΅ΠΌ, Π² Sr2Ru04 ΠΎΠ±Π½Π°ΡΡΠΆΠ΅Π½Ρ ΡΠ²Π½ΡΠ΅ ΡΠ°ΡΡ ΠΎΠΆΠ΄Π΅Π½ΠΈΡ ΠΌΠ΅ΠΆΠ΄Ρ ΡΠ°ΡΡΡΠΈΡΠ°Π½Π½ΡΠΌ ΠΈ ΡΠΊΡΠΏΠ΅ΡΠΈΠΌΠ΅Π½ΡΠ°Π»ΡΠ½ΡΠΌ ΡΠΎΡΠΎΡΠΌΠΈΡΡΠΈΠΎΠ½Π½ΡΠΌΠΈ ΡΠΏΠ΅ΠΊΡΡΠ°ΠΌΠΈ. Π‘Π²ΡΠ·Π°Π½Ρ Π»ΠΈ ΡΡΠΈ ΡΠ°ΡΡ ΠΎΠΆΠ΄Π΅Π½ΠΈΡ Ρ Π²Π»ΠΈΡΠ½ΠΈΠ΅ΠΌ ΠΌΠ°ΡΡΠΈΡΠ½ΡΡ ΡΠ»Π΅ΠΌΠ΅Π½ΡΠΎΠ² ΠΈΠ»ΠΈ ΡΡΡΠ΅ΠΊΡΠ°ΠΌΠΈ ΡΠΈΡΠΈΠ½Ρ Π»ΠΈΠ½ΠΈΠΈ Π½Π° ΡΠΊΡΠΏΠ΅ΡΠΈΠΌΠ΅Π½ΡΠ°Π»ΡΠ½ΡΠ΅ ΡΠΏΠ΅ΠΊΡΡΡ, ΠΈΠ»ΠΈ ΠΈΡ ΡΠ»Π΅Π΄ΡΠ΅Ρ ΠΈΠ½ΡΠ΅ΡΠΏΡΠ΅ΡΠΈΡΠΎΠ²Π°ΡΡ ΠΊΠ°ΠΊ ΡΠ΅ΡΡΠ΅Π·Π½ΡΠΉ Π½Π΅Π΄ΠΎΡΡΠ°ΡΠΎΠΊ ΡΠ΅ΠΎΡΠ΅ΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΌΠ΅ΡΠΎΠ΄Π°, Π½Π° ΡΠ΅ΠΊΡΡΠΈΠΉ ΠΌΠΎΠΌΠ΅Π½Ρ ΠΏΠΎΠΊΠ° Π½Π΅ ΡΡΠ½ΠΎ… Π§ΠΈΡΠ°ΡΡ Π΅ΡΡ >
- Π‘ΠΎΠ΄Π΅ΡΠΆΠ°Π½ΠΈΠ΅
- ΠΡΠ΄Π΅ΡΠΆΠΊΠ°
- ΠΠΈΡΠ΅ΡΠ°ΡΡΡΠ°
- ΠΡΡΠ³ΠΈΠ΅ ΡΠ°Π±ΠΎΡΡ
- ΠΠΎΠΌΠΎΡΡ Π² Π½Π°ΠΏΠΈΡΠ°Π½ΠΈΠΈ
Π‘ΠΎΠ΄Π΅ΡΠΆΠ°Π½ΠΈΠ΅
- ΠΠ»Π°Π²Π° 1. Π€ΡΠ½ΠΊΡΠΈΠΈ ΠΠ°Π½ΡΠ΅
- 1. 1. Π€ΡΠ½ΠΊΡΠΈΡ ΠΠ°Π½ΡΠ΅ Π΄Π»Ρ ΠΎΠ΄Π½ΠΎΠΉ Π·ΠΎΠ½Ρ v 1.2 Π€ΡΠ½ΠΊΡΠΈΠΈ ΠΠ°Π½ΡΠ΅ Π΄Π»Ρ Π³ΡΡΠΏΠΏΡ Π·ΠΎΠ½ Ρ 1.3 Π€ΡΠ½ΠΊΡΠΈΠΈ ΠΠ°Π½ΡΠ΅ Π² Π±Π°Π·ΠΈΡΠ΅ LMTO
- 1. 4. ΠΠ°ΡΡΠΈΡΠ½ΡΠ΅ ΡΠ»Π΅ΠΌΠ΅Π½ΡΡ ΠΎΠΏΠ΅ΡΠ°ΡΠΎΡΠΎΠ² Π² Π±Π°Π·ΠΈΡΠ΅ ΡΡΠ½ΠΊΡΠΈΠΉ ΠΠ°Π½ΡΠ΅
- 1. 5. ΠΡΡΠ°ΠΆΠ΅Π½ΠΈΠ΅ ΡΡΠ½ΠΊΡΠΈΠΉ ΠΠ°Π½ΡΠ΅ ΡΠ΅ΡΠ΅Π· ΡΡΠ½ΠΊΡΠΈΠΈ ΠΡΠΈΠ½Π°
- ΠΠ»Π°Π²Π° 2. ΠΠ΅ΡΠΎΠ΄Ρ ΡΠ°ΡΡΠ΅ΡΠ° ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΡΡΡΡΠΊΡΡΡΡ ΡΠ²Π΅ΡΠ΄ΠΎΠ³ΠΎ ΡΠ΅Π»Π°
- 2. 1. Π’Π΅ΠΎΡΠΈΡ ΡΡΠ½ΠΊΡΠΈΠΎΠ½Π°Π»Π° ΠΏΠ»ΠΎΡΠ½ΠΎΡΡΠΈ
- 2. 1. 1. ΠΡΠΈΠ±Π»ΠΈΠΆΠ΅Π½ΠΈΠ΅ Π»ΠΎΠΊΠ°Π»ΡΠ½ΠΎΠΉ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΠΏΠ»ΠΎΡΠ½ΠΎΡΡΠΈ (LDA)
- 2. 2. Π’Π΅ΠΎΡΠΈΡ Π΄ΠΈΠ½Π°ΠΌΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΡΡΠ΅Π΄Π½Π΅Π³ΠΎ ΠΏΠΎΠ»Ρ Π³ 2.3 Π Π°ΡΡΠ΅ΡΠ½Π°Ρ ΡΡ
Π΅ΠΌΠ° LDA+DMFT
- 2. 3. 1. Π€ΠΎΡΠΌΠ°Π»ΠΈΠ·ΠΌ ΡΡΠ½ΠΊΡΠΈΠΉ ΠΠ°Π½ΡΠ΅ Π΄Π»Ρ LDA+DMFT
- 2. 3. 2. ΠΠ±ΡΠ°ΡΠ½ΠΎΠ΅ ΠΏΡΠ΅ΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠ΅ Π² ΠΏΠΎΠ»Π½ΠΎ ΠΎΡΠ±ΠΈΡΠ°Π»ΡΠ½ΠΎΠ΅ Π³ΠΈΠ»ΡΠ±Π΅ΡΡΠΎΠ²ΠΎ ΠΏΡΠΎΡΡΡΠ°Π½ΡΡΠ²ΠΎ
- 2. 3. 3. Π‘Ρ Π΅ΠΌΠ° ΠΏΠΎΠ»Π½ΠΎΡΡΡΡ ΡΠ°ΠΌΠΎΡΠΎΠ³Π»Π°ΡΠΎΠ²Π°Π½Π½ΠΎΠ³ΠΎ
- 2. 1. Π’Π΅ΠΎΡΠΈΡ ΡΡΠ½ΠΊΡΠΈΠΎΠ½Π°Π»Π° ΠΏΠ»ΠΎΡΠ½ΠΎΡΡΠΈ
- 3. 1. Π€ΠΈΠ·ΠΈΡΠ΅ΡΠΊΠΈΠ΅ ΡΠ²ΠΎΠΉΡΡΠ²Π° LiV 3.2 ΠΡΠΈΡΡΠ°Π»Π»ΠΈΡΠ΅ΡΠΊΠ°Ρ ΡΡΡΡΠΊΡΡΡΠ° Π¬1Π£Π³
- 3. 3. Π Π΅Π·ΡΠ»ΡΡΠ°ΡΡ DFT/LDA ΡΠ°ΡΡΠ΅ΡΠ° ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΡΡΡΡΠΊΡΡΡΡ LiV
- 3. 4. Π£ΡΠ΅Ρ ΠΊΠΎΡΡΠ΅Π»ΡΡΠΈΠΉ Π² ΡΠ°ΠΌΠΊΠ°Ρ LDA+DMFT ΡΡ Π΅ΠΌΡ. t 3.4.1 ΠΠ΄Π½ΠΎΡΠ°ΡΡΠΈΡΠ½ΡΠ΅ ΡΠ²ΠΎΠΉΡΡΠ²Π° Ρ 3.4.2 ΠΠ°Π³Π½ΠΈΡΠ½Π°Ρ Π²ΠΎΡΠΏΡΠΈΠΈΠΌΡΠΈΠ²ΠΎΡΡΡ: ΠΊΠΎΠ½ΠΊΡΡΠ΅Π½ΡΠΈΡ ΠΎΠ±ΠΌΠ΅Π½Π½ΡΡ Π²Π·Π°ΠΈΠΌΠΎΠ΄Π΅ΠΉΡΡΠ²ΠΈΠΉ
- 4. 1. ΠΡΠΈΡΡΠ°Π»Π»ΠΈΡΠ΅ΡΠΊΠ°Ρ ΡΡΡΡΠΊΡΡΡΠ° Π¬Π°Π³Π‘ΠΈΠ‘^ ΠΈ NCI2C11O
- 4. 2. DFT/LDA ΡΠ°ΡΡΠ΅Ρ ΠΏΠ°ΡΠ°ΠΌΠ΅ΡΡΠΎΠ² t-J ΠΌΠΎΠ΄Π΅Π»ΠΈ Π΄Π»Ρ ΠΠ’Π’ ΠΈ LTT ΡΠ°Π· La2Cu
- 4. 3. ΠΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ° ΠΈ ΡΡΠ½ΠΊΡΠΈΠΈ ΠΠ°Π½ΡΠ΅ Π΄Π»Ρ ΠΠ’Π’ ΡΠ°Π·Ρ La2Cu
- 4. 4. ΠΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ° ΠΈ ΠΈΠ½ΡΠ΅Π³ΡΠ°Π»Ρ ΠΏΠ΅ΡΠ΅ΡΠΊΠΎΠΊΠ° Π΄Π»Ρ Ρ- ΠΈ ΠΏ-ΡΠΈΠΏΠΎΠ² ΠΊΡΠΏΡΠ°ΡΠΎΠ², ΡΠ°ΡΡΡΠΈΡΠ°Π½Π½ΡΠ΅ Ρ ΠΏΠΎΠΌΠΎΡΡΡ ΡΡΠ½ΠΊΡΠΈΠΉ ΠΠ°Π½ΡΠ΅
- 4. 5. Π‘ΡΠ°Π²Π½Π΅Π½ΠΈΠ΅ ΠΏΠ°ΡΠ°ΠΌΠ΅ΡΡΠΎΠ²
- 5. 1. ΠΡΠΎΠ±Π»Π΅ΠΌΠ° ΠΊΠΎΡΡΠ΅Π»ΡΡΠΈΠΎΠ½Π½ΡΡ ΡΡΡΠ΅ΠΊΡΠΎΠ² Π² Sr2Ru
- 5. 2. ΠΠ»Π΅ΠΊΡΡΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ° Sr2Ru
- I. 5.2.1 ΠΠΎΠ½Π½Π°Ρ ΡΡΡΡΠΊΡΡΡΠ°, ΡΠ°ΡΡΡΠΈΡΠ°Π½Π½Π°Ρ Π² ΡΠ°ΠΌΠΊΠ°Ρ LDA
- 9. 5.2.2 LDA+DMFT (QMC) ΡΠ΅Π·ΡΠ»ΡΡΠ°ΡΡ: ΡΠΎΠ»Ρ ΠΊΠΎΡΡΠ΅Π»ΡΡΠΈΠΉ
- 5. 2. 3. ΠΠ½Π°Π»ΠΈΠ· LDA+DMFT (QMC) ΡΠΏΠ΅ΠΊΡΡΠΎΠ²
- 5. 3. Π‘ΡΠ°Π²Π½Π΅Π½ΠΈΠ΅ Ρ ΡΠΊΡΠΏΠ΅ΡΠΈΠΌΠ΅Π½ΡΠ°Π»ΡΠ½ΡΠΌΠΈ Π΄Π°Π½Π½ΡΠΌΠΈ
- 5. 3. 1. Π€ΠΎΡΠΎΡΠΌΠΈΡΡΠΈΠΎΠ½Π½ΡΠ΅ ΡΠΏΠ΅ΠΊΡΡΡ
- 5. 3. 2. Π‘ΠΏΠ΅ΠΊΡΡΡ ΠΏΠΎΠ³Π»ΠΎΡΠ΅Π½ΠΈΡ
- 5. 3. 3. Π‘ΡΠ°Π²Π½Π΅Π½ΠΈΠ΅ Ρ ARPES Π΄Π°Π½Π½ΡΠΌΠΈ
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