JList = np.linspace(0.05,0.1,2)
simDict = {'tipPos':0,'Gs':2.56e-7,'G':1.5e-9,'eta':0.5,'u':0.4}
fig,ax = plt.subplots(1,3,figsize=(12,4.5))
scaledtrans = transforms.ScaledTranslation(-0.55, -0.15, fig.dpi_scale_trans)
letters = ['a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j', 'k', 'l']
for i,axis in enumerate(ax):
axis.text(0, 1, letters[i], fontsize=14, fontweight="bold", va="bottom", ha="left",
transform=axis.transAxes + scaledtrans)
for J in JList:
struct1 = Structure(atoms=[Fe1,Fe2,Fe2,Fe3,], JDict={(0,1):J,(1,2):J,(2,3):J},Bz = 0.2,)
struct2 = Structure(atoms=[Fe1,Fe2,Fe2,Fe3,], JDict={(0,1):J,(1,2):J,(2,3):J},Bz = 0.6,)
lifeTimes1 = TemperatureVariation(struct1,T_rangeShort,**simDict).calcLifeTimesFullRates(V_bias)
lifeTimes2 = TemperatureVariation(struct2,T_rangeShort,**simDict).calcLifeTimesFullRates(V_bias)
label1 = 'J = ' + ("%.2f" % J) + ', meV Bz = 0.2 T'
label2 = 'J = ' + ("%.2f" % J) + ', meV Bz = 0.6 T'
v1 = struct1.getEigenStates()
v2 = struct2.getEigenStates()
#w = struct.getEnergies()
print(label1)
print(getHigestProbabillity(v1[:,0],3,2))
print(label2)
print(getHigestProbabillity(v2[:,0],3,2))
avgLifetime1 = 2/(lifeTimes1[:,0]+lifeTimes1[:,1])
avgLifetime2 = 2/(lifeTimes2[:,0]+lifeTimes2[:,1])
davgdT1 = np.gradient(avgLifetime1,T_rangeShort)
'tipPos': 0,
'Gs': 1.452e-7,
'G': 1.5e-9,
'u': 0,
'eta': 0,
}
for i, J in enumerate(J_list):
fourFe = Structure(atoms=[Fe1, Fe2, Fe2, Fe3],
JDict={
(0, 1): J,
(1, 2): J,
(2, 3): J
},
Bz=3)
lifeTimes = TemperatureVariation(fourFe, T_rangeShort,
**simDict).calcLifeTimesFullRates(V_bias)
dIdV1 = DIdV(fourFe, V_range, tipPos=0, T=1).getdIdV()
dIdV2 = DIdV(fourFe, V_range, tipPos=1, T=1).getdIdV()
ax[0].semilogy(1 / T_rangeShort,
2 / (lifeTimes[:, 0] + lifeTimes[:, 1]),
'--s',
label='J = ' + str(J),
markerfacecolor='none')
ax[1].plot(V_range / 1e-3,
dIdV1 / dIdV1[0],
'-' + colorString[i],
label='J = ' + str(J),
markerfacecolor='none')
ax[1].plot(
V_range / 1e-3,
#{'tipPos':2,'Gs':1.452e-7,'G':1.5e-9,'u':0,'eta':0.24},
#{'tipPos':3,'Gs':1.452e-7,'G':1.5e-9,'u':0,'eta':0.24},
#{'tipPos':0,'Gs':1.452e-8,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':1,'Gs':1.452e-8,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':2,'Gs':1.452e-8,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':3,'Gs':1.452e-8,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':0,'Gs':1.452e-9,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':1,'Gs':1.452e-9,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':2,'Gs':1.452e-9,'G':1.5e-9,'u':0,'eta':0.4},
#{'tipPos':3,'Gs':1.452e-9,'G':1.5e-9,'u':0,'eta':0.4},
#]
for simDict in simList:
#lifeTimes4 = TemperatureVariation(fourFe,T_rangeShort,**simDict).calcLifeTimesFullRates(V_bias)
lifeTimes6B = TemperatureVariation(
sixFeB, T_rangeShort, **simDict).calcLifeTimesFullRates(V_bias)
lifeTimes8 = TemperatureVariation(eightFe, T_rangeShort,
**simDict).calcLifeTimesFullRates(V_bias)
lifeTimes2x4 = TemperatureVariation(
eightFe2x4, T_rangeShort, **simDict).calcLifeTimesFullRates(V_bias)
plt.figure(figsize=(6, 4))
#plt.semilogy(1/T_rangeShort,1/lifeTimes8[:,0],'*',label = '1x8 A')
#plt.semilogy(1/T_rangeShort,1/lifeTimes2x4[:,0],'*',label = '2x4 A')
#plt.semilogy(1/T_rangeShort,1/lifeTimes4[:,0],'*',label = '1x4 A')
#plt.semilogy(1/T_rangeShort,1/lifeTimes6B[:,0],'*',label = '1x6 AB')
plt.semilogy(1 / T_rangeShort,
2 / (lifeTimes6B[:, 0] + lifeTimes6B[:, 1]),
'--C0',
label='1x6')
plt.semilogy(1 / T_rangeShort,
'Gs': 1.452e-7,
'G': 1.5e-9,
'u': 1,
},
{
'tipPos': 0,
'Gs': 1.452e-7,
'G': 1.5e-9,
'u': 0,
'b0': 0.75
},
]
for i, structDict in enumerate(structList):
struct = Structure(**structDict)
lifeTime = TemperatureVariation(
struct, T_rangeShort, **simList[0]).calcLifeTimesFullRates(V_bias)
ax[0].semilogy(1 / T_rangeShort,
2 / (lifeTime[:, 0] + lifeTime[:, 1]),
linestArray[i],
markerfacecolor='none')
struct = Structure(**structList[0])
for i, simDict in enumerate(simList):
lifeTime = TemperatureVariation(struct, T_rangeShort,
**simDict).calcLifeTimesFullRates(V_bias)
ax[1].semilogy(1 / T_rangeShort,
2 / (lifeTime[:, 0] + lifeTime[:, 1]),
linestArray[i],
markerfacecolor='none')
simDict = {'tipPos': 0, 'Gs': 2.56e-6, 'G': 1.5e-9, 'eta': 0, 'u': 0}
structDict = {
'atoms': [Fe1, Fe2, Fe2, Fe3],
'JDict': {
(0, 1): J,
(1, 2): J,
(2, 3): J
},
'Bz': 3,
}
fourFe1 = Structure(**structDict)
fourFe2 = BigStructure(**structDict, n=5, k=625)
fourFe3 = BigStructure(**structDict, n=5, k=10)
lifeTimes1 = TemperatureVariation(fourFe1, T_rangeShort,
**simDict).calcLifeTimesFullRates(V_bias)
lifeTimes2 = TemperatureVariation(fourFe2, T_rangeShort,
**simDict).calcLifeTimesFullRates(V_bias)
lifeTimes3 = TemperatureVariation(fourFe3, T_rangeShort,
**simDict).calcLifeTimesFullRates(V_bias)
avgLifetime1 = 2 / (lifeTimes1[:, 0] + lifeTimes1[:, 1])
for key in valueDict.keys():
error = np.zeros((3, len(valueDict[key])))
for j, value in enumerate(valueDict[key]):
tempdict = structDict
tempdict[key] = value
structList = [
BigStructure(**structDict, n=2),
BigStructure(**structDict, n=10),