MatLab Code for Band Structure of Aluminium

Tuesday, September 28, 2010

Band structure of Al using pseudopotential.
MatLab code for plot band structure of Al



clc
clear
close all

U0 = -31.3; % in eV
d = 0.35 ;% in Angstroms
Rc = 0.943; % in Angstroms
a = 4.05; %in Angstrom
c = 3.8; %in eV*(Angstrom^2) h^2/2m
N=50; % Number of k values in first brillouin zone
bands=6; % Number of bands that need to plot



% Al has fcc structure. reciprocal lattice has bcc structure. Structure factor for fcc will gives the h,k,l values

t=3;
r = 1;
for h = -t:1:t
for k = -t:1:t
for l = -t:1:t

stfact = 1 + exp(i*pi*(h+k)) + exp(i*pi*(h+l)) + exp(i*pi*(l+k)); %structure factor

if real(stfact) == 4
%now defining an array of g-vectors for h,k,l values
g(r,1) = h;
g(r,2) = k;
g(r,3) = l;
r = r + 1;
end

end
end
end



%calculate K and U================================================
for ri=1:length(g)
for rj=1:length(g) %calculate distance between two rows of g
K(ri,rj)=sqrt((g(ri,1)-g(rj,1)).^2+(g(ri,2)-g(rj,2)).^2+(g(ri,3)-g(rj,3)).^2)*2*pi/a;
%calculate pseudopotential ( Marder equation 10.57)
if K(ri,rj)==0 %if K is zero
U(ri,rj)=U0*exp(-Rc/d)*(Rc/d+1);
else
U(ri,rj)=U0*exp(-Rc/d)*(sin(Rc*K(ri,rj))+K(ri,rj)*d*cos(K(ri,rj)*Rc))/(d*K(ri,rj)*(d^2*K(ri,rj)^2+1));
end

end
end
% end of calculation of K and U=====================================



%Calculate Pannel for Gamma to X************************************
B=2*pi/a; % Gamma=(0,0,0) X=(1,0,0) L=1/2(1,1,1) with units of 2*pi/a.
k=B/N;
kx=0:k:B; %array of k


for z=1:N+1
for ri=1:length(g)
for rj=1:length(g)
if K(ri,rj) == 0
E(ri,rj) = c*(((z-1)*k-B*g(ri,1))^2+(B*g(ri,2))^2+(B*g(ri,3))^2) + U(ri,rj);
else
E(ri,rj) = U(ri,rj);
end
end
end
%Ex=energy eigen values for Gamma to X
Ex(z,1:length(g)) = eig(E);
end





%Calculate Pannel for L to Gamma++++++++++++++++++++++++++++++++++++++
Bl=pi/a; % Gamma=(0,0,0) L=1/2(1,1,1) with units of 2*pi/a.
k=Bl/N;
kl=0:k:Bl;


for z=1:N+1
for ri=1:length(g)
for rj=1:length(g)
if K(ri,rj) == 0
E(ri,rj) = c*((Bl-(z-1)*k-B*g(ri,1))^2+(Bl-(z-1)*k-B*g(ri,2))^2 +(Bl-(z-1)*k-B*g(ri,3))^2)+ U(ri,rj);
else
E(ri,rj) = U(ri,rj);
end
end
end
%Ex=energy eigen values for L to Gamma
El(z,1:length(g)) = eig(E);
end


Dhammapada Quotes

Wednesday, June 23, 2010

A man long absent and returned safe from afar, his kinsmen, friends, and well-wishers welcome on his arrival. Likewise, his good deeds will receive the well-doer who has gone from this world to the next, as kinsmen will receive a dear one on his return.



He is not a wise man just because he talks much; only he who peaceful, free from enmity, and no harmto others, is called 'a wise man'.



An evil deed does mot immediately bear fruit, just as milk does not curdle at once; but it follows the fool burning him like coal covered with ashes.



By degrees, little by little, from time to time, a wise person should remove his own impurities, as a smith removes(the dross of) silver.




Victory breeds hatred. The defeated live in pain. Happily the peaceful live, giving up victor and defeat.



Even as rain does not penetrate a well-thatched house, so does lust not penetrate a well-developed mind.



Better than a thousand verses, comprising useless words, is one beneficial single verse, by hearing which one is calmed.




The mind is difficult to control; swiftly and lightly; it moves andlands wherever it pleases. It is good to tame the mind, for a well-tamed mind brings happines.



Easily done is what is bad and detrimental to oneself; the beneficial and the good are very hard to bring about.



He who is perfect in virtue, and insight, is established in the Dhamma, has realized the truths, and fulfils his own duties, is loved by all men.




Long is the night to the wakeful; lond is the journey to the weary; long is the samsaara to the foolish who know not the Sublime Truth.





Whosoever, by a good deed, covers the evil done, such a one illumines this world like the moon freed from clouds.



That deed is not well done when, after having done it, one regrets, and when weeping, with tearful face, one reaps the fruit thereof.






He who in this world takes nothing that is not given, be itlong or short, small or great, fair or foul,- him I call a brahman.




All tremble at the rod(punishment). All fear death. Comparing other with oneself, one should neither strike nor cause to strike.

Facebook Restaurant City Food Quiz Answers

Hi Facebook Restaurant City players, These are the answeres for the Food Quizes.....


Q: Agar is a gelatinous substance derived from what?
A: Seaweed

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A: White Sauce

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A: Boil and Cool off quickly

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A: Squid

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A: A turnover made of pizza dough

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A: Italian

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A: Fish Egg

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A: Deep dish

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A: Fruit

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A: Naga jolokia pepper

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A: Kiwi

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A: Cocoa fat or sugar

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A: Front

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A: Africa

Q: What is coconut?
A: Fruit

Q: Q: A crepe is typical a ...?
A: Thinly cooked pancake

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A: China

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A: Sweetened Milk

Q: Which sauce used in Egg Benedicts?
A: Hollandaise sauce

Q: Where did Feta Cheese come from?
A: Greece

Q: The flank is found where on the cow?
A: Mid

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A: Liver

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A: Chips

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A: Add final touches

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A: Green

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A: Bees

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A: Chickpeas

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A: Vegetables

Q: What is Ketchup made of?
A: Tomatoes

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A: Pig

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A: Indian Food

Q: Natto, a traditional Japanese food, is made from fermented?
A: Soybeans

Q: New-York Style Pizzas are generally?
A: Thin crust

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A: Italy

Q: To poach something means?
A: To cook in boiling water

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A: Grapes

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A: Tomatoes

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A: To immerse in COLD water

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A: Back

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A: Spice

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A: Fermented Cabbage

Q: To saute a dish, means to?
A: Fry quickly in hot pan

Q: The sirloin is found where on the cow?
A: Mid

Q: What is the most expensive spice in the world?
A: Saffron

Q: Which of the following spices is the most expensive??
A: Pure Vanilla

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A: Beef

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A: a fresh cheese from Italy

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A: Japanese

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A: Mexico

Q: In which restaurant would you typically find tacos?
A: Mexican

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A: Spanish

Q: Tofu is made of .... ?
A: Soybean

Q: A tomato is a?
A: Fruit

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A: Pink

Q: Where is Tuna from?
A: Salt Water

Q: The main ingredients in Tzatziki are?
A: Yoghurt and Cucumber

Q: Venison is the meat from what animal?
A: Deer

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A: Horseradish

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A: Chickpeas

Useful links about universities

Wednesday, May 19, 2010

http://www.aip.org/statistics/trends/reports/physrost.pdf

http://www.gradschoolshopper.com/

http://www.aip.org/statistics/trends/gradtrends.html

http://www.aip.org/statistics/

http://grad-schools.usnews.rankingsandreviews.com/best-graduate-schools/top-physics-schools/rankings

http://graduate-school.phds.org/rankings/physics?

Eating for life

Friday, January 8, 2010

According to Dr.T.Colin Campbell, nutritional researcher at Cornell University and director of the largest epidemiological study in history, “The vast majority of all cancers, cardiovascular diseases, and other forms of degenerative illness can be prevented simply by adopting a plant base diet.” The American Heart Association reports that vegetarian “have a lower risk of obesity, coronary heart disease (which cause heart attack), high blood pressure, diabetes mellitus, and some forms of cancers.”

Scientist have found that vegetarian have stronger immune systems than meat-eaters do; this means that they are less susceptible to everyday illnesses like flu. Vegetarian are also far less likely to be overweight; infect meat-eaters are nine times more likely to be obese than vegan

Meat dairy products and eggs are completely devoid of fibber and complex carbohydrates, the nutrients that we are supposed to consume more of for good health, and they are loaded with saturated fat and cholesterol, which can make us overweight and tired in the short term and lead to clogged arteries and heart attacks in the long term

What about protein, iron, and vitamin B12

According to the medical authorities, vegetarian get plenty of protein without having to pay particular attention to their diets. Healthy vegetarian protein source include whole grain, oatmeal, beans, peanut butter, brown rice, peas, lentils, tofu, soy milk, nuts, seeds, and vegetarian burgers and hot dogs. By contrast, consuming too much animal protein has been scientifically linked to osteoporosis- according to a 2003 U.S Department of Agriculture (USDA) report; vegetarian women had stronger bones than women who ate meat.

Isn’t fish healthy food?

Anyone who eats fish for healthy reason should think again: The Environmental Protection Agency (EAP) revealed that women who ate fish just twice a week had blood mercury concentration that were seven times higher than those of women who didn’t eat fish. A woman who eats just one can of tuna per week will be 30 percent over the EPA cut-off for safe mercury levels. Mercury is known to cause serve health problems for humans, including Brian damage, memory loss, and damage to a developing fetes. One study showed that women sluggish at birth, had small head circumferences, and had development problems. Women who consume even low levels of fish contaminated with PBCs, mercury or other toxin have a more difficult time conceiving. Some of these chemicals remain in the body for many years. Plant foods like walnuts and flex seeds and vegetarian HDA capsules contain the essential fatty acids that we need without the harmful toxins found in fish flesh.